SCHEMBL9250591

SCHEMBL9250591

COC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)nn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
TMPRSS15 P98073 7/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 1/20 0.34
RAB9A P51151 1/20 0.34
ICMT O60725 1/20 0.34
PSMD10 O75832 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9254897 0.88 ITGB3 (0.45) ITGB3ITGA2BTMPRSS15PRSS1
SCHEMBL8863938 0.83 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9280389 0.82 ITGB3 (0.35) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9251916 0.82 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15HPGDTSHR
SCHEMBL9250808 0.80 ITGB3 (0.36) ITGB3ITGA2BTMPRSS15NPC1F2
SCHEMBL9259191 0.79 NQO2 (0.38) ITGB3ITGA2BHPGDTSHRNPC1
SCHEMBL9568422 0.79 F2 (0.37) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9251525 0.78 MIF (0.37) MIFITGB3ITGA2BTMPRSS15NPC1
SCHEMBL9257112 0.77 TLR8 (0.36) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL9254755 0.77 MAP4K4 (0.38) ITGB3ITGA2BTMPRSS15F2F10

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