SCHEMBL9251193

SCHEMBL9251193

COC(=O)CCc1ccc(-n2[nH]c(-c3ccc(C(=N)N)cc3)cc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
KDM4E B2RXH2 2/20 0.41
F2 P00734 7/20 0.41
F10 P00742 7/20 0.41
PRSS1 P07477 4/20 0.41
TSHR P16473 1/20 0.40
ST14 Q9Y5Y6 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL9568473 1.00 MAPT (0.47) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9254628 0.87 ITGB3 (0.57) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9254812 0.87 ITGB3 (0.57) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9257414 0.85 TMPRSS15 (0.39) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9258402 0.82 MAPT (0.48) MAPTKMT2AMEN1LMNAHTT
Hydrochloric Acid SCHEMBL7275280 0.79 ITGB3 (0.42) MAPTKMT2AMEN1SMN1; SMN2ITGB3
Hydrochloric Acid SCHEMBL7274067 0.79 ITGB3 (0.42) MAPTKMT2AMEN1SMN1; SMN2ITGB3
SCHEMBL9258658 0.78 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9256866 0.78 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9253224 0.77 MAPT (0.47) MAPTKMT2AMEN1LMNAHTT

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