SCHEMBL7616142

SCHEMBL7616142

COc1ccc2c(c1)[nH]c(=O)n2C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.45
HTR4 Q13639 1/20 0.45
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GPR17 Q13304 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.41

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
SCHEMBL8947431 0.88 HTR3A (0.56) HTR3AHTR4KDM4EALDH1A1GAA
SCHEMBL7555069 0.83 ALDH1A1 (0.49) HTR3AHTR4KDM4EALDH1A1L3MBTL1
SCHEMBL7594169 0.82 POLB (0.46) HTR3AHTR4KDM4EALDH1A1GAA
SCHEMBL9382609 0.80 DAO (0.63) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1857924 0.78 LMNA (0.57) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL1519787 0.76 TP53 (0.45) MAPTNPSR1GPR17
SCHEMBL8947414 0.76 DAO (0.63) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL640506 0.76 DAO (0.39) POLBL3MBTL1MAPTNPSR1GPR17
SCHEMBL640787 0.76 MEN1 (0.56) KDM4EL3MBTL1HPGDKMT2A
SCHEMBL8125879 0.76 KMO (0.55) KDM4EALDH1A1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO claimed
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP disclosed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP disclosed