SCHEMBL9253124

SCHEMBL9253124

COC(=O)CCc1ccc(-c2nnc(-c3ccc(C(=N)N)cc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.45
F10 P00742 6/20 0.45
PRSS1 P07477 3/20 0.45
TMPRSS15 P98073 5/20 0.44
ST14 Q9Y5Y6 1/20 0.44
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HDAC1 Q13547 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL9254531 0.88 TMPRSS15 (0.43) F2F10PRSS1TMPRSS15CSNK2A2
SCHEMBL9253071 0.86 NQO2 (0.56) F2F10PRSS1TMPRSS15ST14
Hydrochloric Acid SCHEMBL9254391 0.85 ST14 (0.54) F2F10PRSS1ST14ITGB3
SCHEMBL9257420 0.85 F2 (0.48) F2F10PRSS1TMPRSS15HDAC1
SCHEMBL9250114 0.84 ITGB3 (0.58) F2F10PRSS1TMPRSS15ST14
SCHEMBL9258660 0.84 F2 (0.44) F2F10PRSS1TMPRSS15ST14
SCHEMBL9257819 0.82 NPC1 (0.50) F2ST14ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9254684 0.82 NPC1 (0.49) F2ST14ITGB3ITGA2B
SCHEMBL9250170 0.81 NQO2 (0.61) F2F10PRSS1TMPRSS15
SCHEMBL9254388 0.79 F2 (0.43) F2F10PRSS1TMPRSS15ST14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
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