SCHEMBL9257707

SCHEMBL9257707

COC(=O)CCc1ccc(-c2cc(-c3ccc(C(=N)N)cc3)n[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.44
PRKD1 Q15139 4/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
F10 P00742 5/20 0.43
PRSS1 P07477 3/20 0.43
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
NME4 O00746 1/20 0.39
GCDH Q92947 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL9257048 0.86 ITGB3 (0.51) F2RAB9AF10PRSS1NQO2
SCHEMBL9255355 0.83 NR1H4 (0.49) F2MAPTNPC1RAB9AF10
Hydrochloric Acid SCHEMBL9254391 0.79 ST14 (0.54) F2F10PRSS1ST14
SCHEMBL9254667 0.79 F2 (0.41) F2NPC1RAB9AF10PRSS1
SCHEMBL9257084 0.78 F2 (0.41) F2F10PRSS1HDAC1ST14
SCHEMBL9254388 0.78 F2 (0.43) F2MAPTNPC1RAB9AF10
SCHEMBL9568559 0.78 F2 (0.41) F2F10PRSS1HDAC1ST14
SCHEMBL9257600 0.77 F2 (0.42) F2F10PRSS1NQO2HDAC1
Hydrochloric Acid SCHEMBL9254356 0.77 F2 (0.40) F2F10PRSS1HDAC1ST14
SCHEMBL9253124 0.77 F2 (0.45) F2F10PRSS1HDAC1ST14

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