SCHEMBL8417205

SCHEMBL8417205

COC(=O)C(C)c1ccccc1-n1nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
ATM Q13315 2/20 0.35
TNKS O95271 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE2A O00408 3/20 0.34
TP53 P04637 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8414030 0.84 ALDH1A1 (0.37) ATMADORA3KDM4ESMN1; SMN2PTGS1
SCHEMBL8417128 0.81 KMT2A (0.35) ATMKDM4EPTGS1PTGS2LMNA
SCHEMBL7652867 0.76 ALDH1A1 (0.48) TNKSKDM4EKMT2AALDH1A1MAPT
SCHEMBL7657329 0.75 ADORA3 (0.54) ATMTNKSADORA3ADORA1KDM4E
SCHEMBL7654102 0.72 ADORA2B (0.41) TNKSADORA3ADORA1KDM4ELMNA
SCHEMBL10710439 0.71 KMT2A (0.46) KDM4EPTGS1PTGS2LMNAKMT2A
SCHEMBL7652334 0.70 HCAR1 (0.39) ATMTNKSADORA3NPC1ADORA2A
SCHEMBL7650490 0.70 MAPK11 (0.40) TNKSADORA3KDM4EALDH1A1
SCHEMBL7654345 0.70 GAA (0.40) TNKSADORA3KDM4ESMN1; SMN2MEN1
SCHEMBL7649183 0.69 CDK4 (0.43) TNKSADORA3TP53LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed