SCHEMBL8129452

SCHEMBL8129452

CC1(C)C=Cc2cc(C#N)ccc2O1.Nc1ncnc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.38
EPAS1 Q99814 5/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CA1 P00915 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CA7 P43166 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC7 O00311 2/20 0.34
MAP3K14 Q99558 2/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL30523681 0.85 CA12 (0.46) HIF1AEPAS1CA12CA9ALDH1A1
SCHEMBL506743 0.85 CA12 (0.46) HIF1AEPAS1CA12CA9ALDH1A1
SCHEMBL20766474 0.74 ODC1 (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30065854 0.74 ODC1 (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL6984727 0.71 RAB9A (0.41) HIF1AEPAS1CA12CA9ALDH1A1
SCHEMBL9293857 0.70 HIF1A (0.43) HIF1AEPAS1EP300
SCHEMBL9206139 0.69 CA12 (0.40) CA12CA9KDM4EABCB1
SCHEMBL6980284 0.69 CA12 (0.40) CA12CA9KDM4EABCB1
SCHEMBL2012004 0.69 HIF1A (0.46) HIF1AEPAS1CA12CA9ALDH1A1
SCHEMBL9042019 0.68 HIF1A (0.44) HIF1AEPAS1CA12CA9ALDH1A1

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
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed