SCHEMBL7985334

SCHEMBL7985334

Oc1nc(-c2cccnc2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.46
GBA1 P04062 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CDK9 P50750 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
PDE5A O76074 4/20 0.39
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
DHPS P49366 1/20 0.38
SCD O00767 1/20 0.38
MAOB P27338 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
SCHEMBL7991669 0.89 HDAC1 (0.38) CDK9CYP11B2CYP11B1
SCHEMBL7985264 0.89 CYP11B1 (0.41) ALDH1A1CDK9CYP11B2CYP11B1MAOB
SCHEMBL7989420 0.89 MET (0.45) ABCG2KDM4ECYP11B2CYP11B1DHPS
SCHEMBL7985791 0.88 CYP11B1 (0.40) ABCG2ALDH1A1CDK9CYP11B2CYP11B1
SCHEMBL7988934 0.88 CYP1A2 (0.47) ABCG2KDM4EALDH1A1GRIN1GRIN2B
SCHEMBL7988659 0.88 P2RX7 (0.41) ABCG2GRIN1GRIN2BPDE5ACYP11B2
SCHEMBL7974286 0.87 DHPS (0.49) ABCG2GBA1ALDH1A1CLK1DYRK1A
SCHEMBL7991635 0.86 IDO1 (0.37) CDK9CYP11B2CYP11B1
SCHEMBL7988638 0.86 MET (0.42) KDM4EALDH1A1CDK9CYP11B2CYP11B1
SCHEMBL7985299 0.85 CDK9 (0.39) KDM4EALDH1A1CDK9CYP11B2CYP11B1

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed