SCHEMBL27768002

SCHEMBL27768002

NC(=O)Oc1ccsc1Br

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
BCAT2 O15382 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTK2 Q05397 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL7473455 0.80 CFD (0.42) ALDH1A1MAPK1CYP1A2
SCHEMBL28889801 0.76 PLA2G10 (0.37) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL15668084 0.72 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL27768109 0.71 BCAT2 (0.45) KMT2AMEN1ALDH1A1MAPK1BCAT2
SCHEMBL1791803 0.68
SCHEMBL28720199 0.68 MEN1 (0.36) KMT2AMEN1
SCHEMBL9297516 0.67
SCHEMBL17796977 0.67 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL29154147 0.67 MEN1 (0.31) KMT2AMEN1
SCHEMBL29728552 0.66 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989220-A Amido cyclohexanoic acid derivatives as LPA receptor inhibitors 奇斯药制品公司 2023-04-18 CN disclosed
CN-107698555-B Halogen-substituted heterocyclic compounds 宇部兴产株式会社 2020-05-05 CN disclosed
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed