SCHEMBL9257420

SCHEMBL9257420

COC(=O)CCc1ccc(-c2ncc(-c3ccc(C(=N)N)cc3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
F10 P00742 10/20 0.48
PRSS1 P07477 6/20 0.48
TMPRSS15 P98073 5/20 0.45
HDAC1 Q13547 1/20 0.42
NQO2 P16083 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL9252575 0.86 ITGB3 (0.52) F2F10PRSS1TMPRSS15NQO2
SCHEMBL9253071 0.86 NQO2 (0.56) F2F10PRSS1TMPRSS15NQO2
SCHEMBL9253124 0.85 F2 (0.45) F2F10PRSS1TMPRSS15HDAC1
Hydrochloric Acid SCHEMBL9254391 0.80 ST14 (0.54) F2F10PRSS1
SCHEMBL9250170 0.79 NQO2 (0.61) F2F10PRSS1TMPRSS15NQO2
SCHEMBL9257819 0.78 NPC1 (0.50) F2
Hydrochloric Acid SCHEMBL9254684 0.77 NPC1 (0.49) F2
SCHEMBL9258660 0.77 F2 (0.44) F2F10PRSS1TMPRSS15HDAC1
SCHEMBL9254531 0.76 TMPRSS15 (0.43) F2F10PRSS1TMPRSS15NQO2
SCHEMBL9250757 0.75 NQO2 (0.51) F2F10PRSS1TMPRSS15NQO2

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