SCHEMBL2589113

SCHEMBL2589113

COc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
ALDH1A1 P00352 5/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
MAPT P10636 3/20 0.61
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59

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
SCHEMBL24499183 0.95 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL6407607 0.88 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL9313874 0.86 L3MBTL1 (0.76) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL15267699 0.84 KMT2A (0.60) ALDH1A1HTTRAB9ANPC1MAPT
SCHEMBL31703797 0.83 MTNR1B (0.78) HPGDTP53
SCHEMBL2954416 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL2089592 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL2089593 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL6424909 0.82 POLB (0.77) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL1117828 0.81 L3MBTL1 (0.69) L3MBTL1ALDH1A1HTTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459362-A N-aryl-2- (2-hydroxybenzyloxy) acetamides, preparation method and application thereof 湖南科技大学 2024-08-09 CN disclosed
CN-118255686-A Fluorine-containing trans-phenyl cyclopropylamine derivative, and preparation method and application thereof 郑州大学 2024-06-28 CN disclosed
CN-117304033-A Caffeic acid derivative and preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2023-12-29 CN disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 CN disclosed
CN-110790724-B Selective carbonic anhydrase inhibitor and synthesis method and application thereof 中山大学 2023-01-31 CN disclosed
CN-110790724-A Selective carbonic anhydrase inhibitor and synthesis method and application thereof 中山大学 2020-02-14 CN disclosed
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
EP-0838465-A1 Pyridinium-substituted (lactamylvinyl)cephalosporin derivatives, their preparation and their use as antibiotics F. HOFFMANN-LA ROCHE AG (CH) 1998-04-29 EP disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998006671-A1 METHODS FOR REMOVING UNREACTED ELECTROPHILES FROM A REACTION MIXTURE ISIS PHARMACEUTICALS, INC. (US) 1998-02-19 WO disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
US-5632898-A SCAVINGING WITH A WATER-SOLUBLE NUCLEOPHILE COMPRISING AMINO-, HYDROXY- OR MERCAPTO-CONTAINING SULFONATES, CARBOXYLATES OR PHOSPHONATES FOLLOWED BY SEPARATION ISIS PHARMACEUTICALS, INC. (US) 1997-05-27 US disclosed
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 EP disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed