SCHEMBL9254967

SCHEMBL9254967

N=C(N)c1ccc(-n2[nH]c(-c3ccc(CCC(=O)O)cc3)cc2=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
F10 P00742 3/20 0.39
F2 P00734 2/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LDHA P00338 2/20 0.35
FFAR1 O14842 1/20 0.35
TMPRSS15 P98073 6/20 0.34
PRSS1 P07477 5/20 0.34
CHEK2 O96017 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34

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
SCHEMBL9257414 0.89 TMPRSS15 (0.39) F10F2MEN1LMNAGAA
SCHEMBL9254812 0.84 ITGB3 (0.57) ITGB3ITGA2BF10F2MEN1
SCHEMBL9254628 0.84 ITGB3 (0.57) ITGB3ITGA2BF10F2MEN1
SCHEMBL9251193 0.73 MAPT (0.47) ITGB3ITGA2BF10F2MEN1
SCHEMBL9568473 0.73 MAPT (0.47) ITGB3ITGA2BF10F2MEN1
Hydrochloric Acid SCHEMBL8988846 0.71 ITGB3 (0.41) ITGB3ITGA2BF10F2FFAR1
SCHEMBL9253224 0.70 MAPT (0.47) ITGB3ITGA2BMEN1LMNAGAA
SCHEMBL7118598 0.69 ITGB3 (0.74) ITGB3ITGA2BF10F2FFAR1
SCHEMBL9257048 0.68 ITGB3 (0.51) ITGB3ITGA2BF10F2FFAR1
SCHEMBL7274553 0.68 ITGB3 (0.57) ITGB3ITGA2BF10F2FFAR1

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