SCHEMBL5226419

SCHEMBL5226419

COc1ccc(C(=O)Nc2ccccc2NC(=O)NC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.62
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
ALDH1A1 P00352 2/20 0.48
SNCA P37840 1/20 0.48
MAPT P10636 2/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL5226055 0.87 KMT2A (0.47) F10KMT2AMEN1RAB9ANPC1
SCHEMBL7249077 0.78 F10 (0.45) F10GAACCNE1CDK2ALDH1A1
SCHEMBL5222235 0.77 F10 (0.68) F10KMT2AMEN1POLBRAB9A
SCHEMBL22495406 0.75 RAB9A (0.77) F10KMT2AMEN1RAB9ANPC1
SCHEMBL7256979 0.75 F10 (0.73) F10KMT2ARAB9ANPC1GAA
SCHEMBL5227933 0.75 F10 (0.75) F10KMT2AMEN1POLBRAB9A
SCHEMBL5224549 0.74 KMT2A (0.51) KMT2AMEN1NPC1GAAALDH1A1
SCHEMBL5410384 0.74 F10 (0.81) F10
SCHEMBL6211789 0.73 POLB (0.61) F10KMT2AMEN1POLBRAB9A
SCHEMBL7371754 0.72 F10 (0.55) F10

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
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed