SCHEMBL9251916

SCHEMBL9251916

COC(=O)CCc1cnn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
NQO2 P16083 1/20 0.33
PRSS1 P07477 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
RAB9A P51151 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL9251266 0.88 ITGB3 (0.40) TMPRSS15ITGB3ITGA2BPRSS1
SCHEMBL9250591 0.82 MIF (0.43) TMPRSS15ITGB3ITGA2BMAPTHPGD
SCHEMBL8863938 0.81 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BMAPTALDH1A1
SCHEMBL9280389 0.80 ITGB3 (0.35) TMPRSS15ITGB3ITGA2BALDH1A1NPC1
SCHEMBL9250808 0.78 ITGB3 (0.36) TMPRSS15ITGB3ITGA2BMAPTNPC1
SCHEMBL9259191 0.78 NQO2 (0.38) ITGB3ITGA2BMAPTALDH1A1LMNA
SCHEMBL8863950 0.77 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BMAPTHPGD
SCHEMBL9251260 0.76 F10 (0.36) MAPTLMNASMN1; SMN2TSHRPRSS1
SCHEMBL9251525 0.76 MIF (0.37) TMPRSS15ITGB3ITGA2BNPC1
SCHEMBL9568422 0.76 F2 (0.37) ITGB3ITGA2BMAPTALDH1A1GAA

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