SCHEMBL9280389

SCHEMBL9280389

COC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
TMPRSS15 P98073 7/20 0.33
NPC1 O15118 3/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
NQO2 P16083 1/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9247213 0.89 ITGB3 (0.39) ITGB3ITGA2BTMPRSS15PRSS1NQO2
SCHEMBL9259191 0.89 NQO2 (0.38) ITGB3ITGA2BNPC1F2NQO2
SCHEMBL9250808 0.88 ITGB3 (0.36) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9257112 0.87 TLR8 (0.36) ITGB3ITGA2BNPC1RAB9A
SCHEMBL9251260 0.85 F10 (0.36) F2F10PRSS1POLB
SCHEMBL9568422 0.85 F2 (0.37) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250591 0.82 MIF (0.43) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL8863938 0.82 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9251916 0.80 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9250788 0.79 ALDH1A1 (0.34) ITGB3ITGA2BTMPRSS15F10NQO2

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed