SCHEMBL295976

SCHEMBL295976

Nc1ccc(Br)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.54
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
IDO1 P14902 3/20 0.52
EP300 Q09472 2/20 0.52
KAT8 Q9H7Z6 2/20 0.52
HDAC3 O15379 1/20 0.52
KAT2B Q92831 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP2 O95551 2/20 0.50
APAF1 O14727 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30065419 1.00 AXL (0.54) AXLALDH1A1CYP3A4HPGDTSHR
SCHEMBL28741837 0.87 IDO1 (0.47) AXLALDH1A1CYP3A4HPGDTSHR
SCHEMBL29813552 0.84 ALDH1A1 (0.68) AXLALDH1A1CYP3A4HPGDTSHR
SCHEMBL150437 0.84 ALDH1A1 (0.68) AXLALDH1A1CYP3A4HPGDTSHR
SCHEMBL29429114 0.83 RXFP1 (0.48) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL30710586 0.83 RXFP1 (0.48) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL201893 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL198796 0.83 RXFP1 (0.48) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL29404342 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL28868145 0.80 ALDH1A1 (0.62) AXLALDH1A1CYP3A4HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 754 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724349-B Polymer and use thereof 立邦涂料(中国)有限公司 2024-07-05 CN claimed
CN-114671920-B Amide pentaacetyl geniposide derivative as well as preparation method and application thereof 山东省农业科学院 2023-06-20 CN claimed
CN-110698367-B N- (1-substituted naphthyl) -4-methoxybenzenesulphonamide compound and preparation and application thereof 温州医科大学 2022-08-19 CN claimed
CN-114671920-A Amide penta-acetyl geniposide derivative and preparation method and application thereof 山东省农业科学院 2022-06-28 CN claimed
CN-113336769-B Thienopyrimidine ketone acyl sulfonamide derivative as well as preparation method and application thereof 山东大学 2022-06-24 CN claimed
CN-113861383-A Epoxy resin containing naphthalene ring structure and preparation method thereof 上海华谊树脂有限公司 2021-12-31 CN claimed
CN-113336769-A Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof 山东大学 2021-09-03 CN claimed
CN-111763218-B Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof 山东大学 2021-05-28 CN claimed
CN-112724349-A Novel polymers and uses thereof 立邦涂料(中国)有限公司 2021-04-30 CN claimed
CN-111763218-A Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof 山东大学 2020-10-13 CN claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-4657993-A PREPARED FROM DICHLOROPHOSPHAZENES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-04-14 US claimed
EP-0200854-A2 Phosphazene homopolymers and copolymers having hydroxylated or amino derivatives of carbazole or of naphthalene as substituents CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1986-12-17 EP claimed