SCHEMBL9257600

SCHEMBL9257600

COC(=O)CCc1ccc(-c2cc(-c3ccc(C(=N)N)cc3)n(C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
F10 P00742 6/20 0.42
PRSS1 P07477 4/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
ASIC1 P78348 1/20 0.39
NQO2 P16083 1/20 0.39
HDAC1 Q13547 1/20 0.39
ST14 Q9Y5Y6 1/20 0.38
TMPRSS15 P98073 2/20 0.38
PHGDH O43175 1/20 0.37

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
SCHEMBL9254707 0.88 ITGB3 (0.52) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9256120 0.85 ALDH1A1 (0.45) F2F10PRSS1HPGDTSHR
SCHEMBL9255111 0.81 ITGB3 (0.42) F2F10PRSS1HPGDTSHR
SCHEMBL9254891 0.81 ITGB3 (0.42) F2F10PRSS1HPGDTSHR
SCHEMBL9256866 0.79 ITGB3 (0.42) F2F10PRSS1HRH3ITGB3
SCHEMBL9258658 0.79 ITGB3 (0.42) F2F10PRSS1HRH3ITGB3
SCHEMBL9255881 0.79 ITGB3 (0.44) F2F10PRSS1HRH3HPGD
SCHEMBL9250686 0.79 ITGB3 (0.44) F2F10PRSS1HRH3HPGD
SCHEMBL9257434 0.79 NPC1 (0.42) F2F10PRSS1HRH3HPGD
SCHEMBL9259034 0.79 NPC1 (0.42) F2F10PRSS1HRH3HPGD

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