SCHEMBL11076176

SCHEMBL11076176

COC(=O)c1cc2c([nH]c1=O)sc1cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
NCOA1 Q15788 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PARP1 P09874 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MAPT P10636 2/20 0.42
UCHL1 P09936 2/20 0.40
AXL P30530 1/20 0.39
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL11078482 0.72 PDE3B (0.43) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL22717634 0.71 DAO (0.57) KDM4EGLAGAAALDH1A1PARP1
SCHEMBL15269600 0.71 DAO (0.57) KDM4EGLAGAAALDH1A1PARP1
SCHEMBL1680315 0.68 KDM4E (0.47) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4858672 0.68 ALDH1A1 (0.72) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL1813746 0.68 ALDH1A1 (0.72) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL7836288 0.67 KDM4E (1.00) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4860395 0.67 ALDH1A1 (0.70) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL16238134 0.67 ALDH1A1 (0.70) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL10134618 0.66 PARP1 (0.70) KDM4EGLAGAAALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed