SCHEMBL9256892

SCHEMBL9256892

N=C(N)c1ccc(-c2ccc(-n3cc(CCC(=O)O)nc3-c3cccnc3)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.38
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
FYN P06241 1/20 0.36
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 3/20 0.35
HSD11B1 P28845 1/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
GRM1 Q13255 2/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDK1 Q15118 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL9257188 0.91 NQO2 (0.38) F10PRSS1ITGB3ITGA2BCHRNA7
SCHEMBL9251260 0.90 F10 (0.36) P4HTMF10PRSS1SMN1; SMN2FYN
SCHEMBL9247213 0.83 ITGB3 (0.39) PRSS1ITGB3ITGA2B
SCHEMBL9259191 0.81 NQO2 (0.38) SMN1; SMN2ITGB3ITGA2BRAB9AALDH1A1
SCHEMBL9250761 0.79 F2 (0.40) F10PRSS1ITGB3ITGA2B
SCHEMBL9255129 0.79 ITGB3 (0.36) PRSS1ITGB3ITGA2B
SCHEMBL9248487 0.76 AGER (0.38) SMN1; SMN2ITGB3ITGA2BRAB9AALDH1A1
SCHEMBL9254897 0.74 ITGB3 (0.45) PRSS1ITGB3ITGA2B
SCHEMBL9251266 0.74 ITGB3 (0.40) PRSS1ITGB3ITGA2B
SCHEMBL9280389 0.73 ITGB3 (0.35) F10PRSS1ITGB3ITGA2BRAB9A

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