SCHEMBL7972

SCHEMBL7972

c1c[nH]c(-n2cccc2)c1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
DAO P14920 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31

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
SCHEMBL4663207 0.73 AURKA (0.33) AURKAAURKBINCENP
SCHEMBL1038873 0.73
SCHEMBL15575892 0.73
SCHEMBL7189439 0.67 HDAC8 (0.34) MAPTKDM4EGAADAOHDAC8
SCHEMBL7195400 0.66 DAO (0.34) DAOHDAC8HDAC6
SCHEMBL10370901 0.66 AURKA (0.34) AURKAAURKBINCENP
SCHEMBL1581968 0.66 NOTUM (0.42) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL1037428 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2865639 0.66 KMT2A (0.42) MEN1ALDH1A1HTTKMT2A
SCHEMBL9217273 0.66 DAO (0.34) ALDH1A1DAOAURKAAURKBINCENP

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

Appears in 3796 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP claimed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US claimed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US claimed
WO-2023156461-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS COMPRISING A 2,5-DIHYDROBENZOXEPINE STRUCTURE BY PHOTOCHEMICAL REARRANGEMENT ECOLE POLYTECHNIQUE (FR) 2023-08-24 WO claimed
WO-2023156464-A1 USE OF CHROMENE OR CHROMANE DERIVATIVES AS HERBICIDAL AGENTS ECOLE POLYTECHNIQUE (FR) 2023-08-24 WO claimed
EP-4204412-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-07-05 EP claimed
US-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 US claimed
US-11542236-B2 Sulfonyldiazoles and N-(fluorosulfonyl)azoles, and methods of making the same TRINAPCO, INC. (US) 2023-01-03 US claimed
EP-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 EP claimed
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP claimed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 WO claimed
WO-1997016422-A1 SULFIDES, SULFOXIDES AND SULFONES DISUBSTITUTED WITH A TETRAHYDRONAPHTHALENYL, CHROMANYL, THIOCHROMANYL OR TETRAHYDROQUINOLINYL AND SUBSTITUTED PHENYL OR HETEROARYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-09 WO claimed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP claimed
US-5616725-A REACTING PYRROLO(3,4-C)PYROLE DERIVATIVE WITH ONE OF COMPOUNDS SELECTED FROM DICARBONATES, TRIHALOACETATES, AZIDES, ALKYLIDENE-IMINOOXYFORMATE OR MIXTURES IN AN ORGANIC SOLVENT IN PRESENCE OF A BASIC CATALYST CIBA-GEIGY CORPORATION (US) 1997-04-01 US claimed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO claimed
US-5484943-A FLUORESCENT PIGMENTS CIBA-GEIGY CORPORATION (US) 1996-01-16 US claimed
US-5389141-A Nitroxyl compounds; light stability; weather resistance CIBA-GEIGY CORPORATION (US) 1995-02-14 US claimed
EP-0612816-A1 Stabilisation of pyrrolopyrrole pigments CIBA-GEIGY AG (CH) 1994-08-31 EP claimed
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US claimed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP claimed