SCHEMBL1724614

SCHEMBL1724614

NC(=O)c1cccc(Cc2cscn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.45
IDH1 O75874 1/20 0.43
ENPP2 Q13822 1/20 0.43
MEP1B Q16820 1/20 0.41
PARP1 P09874 5/20 0.40
VNN1 O95497 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
F10 P00742 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
BRD4 O60885 1/20 0.39
FOLH1 Q04609 1/20 0.39
GPR142 Q7Z601 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL17672270 0.78 PLA2G2A (0.59) IDH1MEP1BPARP1F10PRSS1
SCHEMBL29991111 0.74 FYN (0.46) FYNKCNH2
SCHEMBL27892808 0.73 VNN1 (0.50) FYNIDH1MEP1BPARP1VNN1
SCHEMBL4224616 0.73 PLA2G2A (0.69) IDH1ENPP2MEP1BPARP1PRSS1
SCHEMBL2733048 0.71 ENPP2 (0.48) FYNIDH1ENPP2MEP1BPARP1
SCHEMBL27550934 0.71 CYP17A1 (0.61) IDH1ENPP2MEP1BPARP1PRSS1
SCHEMBL30839554 0.71 KDM4C (0.40) PARP1GPR142
SCHEMBL28174046 0.70 VNN1 (0.54) IDH1MEP1BPARP1VNN1AURKA
SCHEMBL31557871 0.69 PLA2G2A (0.58) IDH1ENPP2MEP1BPARP1PRSS1
SCHEMBL509423 0.69 LOXL2 (0.66) IDH1ENPP2MEP1BPARP1FOLH1

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-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed