SCHEMBL18977271

SCHEMBL18977271

Cc1ccc(-c2nc3ccc(C(N)=O)cn3c2CO)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ SLC2A2 P11168 10/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRK1 P41145 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
SCHEMBL1691779 0.89 DPP4 (0.49) SLC2A1SLC2A2DPP4
SCHEMBL1691330 0.79 DPP4 (0.50) SLC2A1SLC2A2DPP4KDM4ELMNA
SCHEMBL1691857 0.78 TGFBR1 (0.41) CDK2SLC2A2GABRA1GABRB2CDK4
SCHEMBL1691484 0.77 SLC2A1 (0.60) SLC2A1SLC2A2ALBOPRK1GABRA2
SCHEMBL1691129 0.74 SLC2A1 (0.47) SLC2A1KDM4ELMNAALBCYP3A4
SCHEMBL1691422 0.74 DPP4 (0.54) SLC2A1SLC2A2DPP4GABRA2GABRB2
SCHEMBL1691704 0.72 GABRA1 (0.54) SLC2A1KDM4ELMNAALBCYP3A4
SCHEMBL1691850 0.72 DPP4 (0.50) SLC2A1SLC2A2DPP4
SCHEMBL1691693 0.72 SLC2A1 (0.45) CDK2SLC2A1KDM4ELMNAALB
SCHEMBL1691367 0.71 SLC2A1 (0.52) SLC2A1

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
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 — — WO disclosed
Send feedback