SCHEMBL7595772

SCHEMBL7595772

N=C(N)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CC(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK10 P53779 1/20 0.45
PKM P14618 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL7373141 0.92 KMT2A (0.51) MEN1KMT2AITGB3ITGA2BNPC1
SCHEMBL2833035 0.79 ITGB3 (0.48) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL8371218 0.78 ITGB3 (0.61) MEN1KMT2AITGB3ITGA2BTHRB
SCHEMBL6368243 0.78 ITGB3 (0.57) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL9303041 0.78 PLAU (0.61) MEN1KMT2AITGB3ITGA2BKCNK3
SCHEMBL7864209 0.78 HPSE (0.62) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL6368868 0.77 LMNA (0.53) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL6368621 0.77 ITGB3 (0.46) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL6367010 0.77 ITGB3 (0.46) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL7378119 0.77 MEN1 (0.47) MEN1KMT2AITGB3ITGA2BLMNA

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
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed