SCHEMBL4033995

SCHEMBL4033995

Cc1ccc(-c2ccc(-c3c[nH]c(CCNC(=O)O)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 4/20 0.38
ALPL P05186 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA1 P30542 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CTRC Q99895 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
SCHEMBL2338147 0.90 LTA4H (0.42) TP53MAPTCDK4CCND1
SCHEMBL4035744 0.88 ADORA3 (0.41) MAPTSMN1; SMN2ADORA3ADORA1
SCHEMBL4037321 0.88 MAPT (0.43) TP53MAPTCA2CA4CA9
SCHEMBL2342371 0.88 LMNA (0.40) MAPTCA2
SCHEMBL4032795 0.88 MEN1 (0.41) TP53CDK4CCND1CA2CA9
SCHEMBL14736459 0.87 CYP3A4 (0.43) TP53MAPTCDK4CCND1
SCHEMBL4039334 0.87 RAB9A (0.45) TP53MAPTCA2CA4CA9
SCHEMBL4699279 0.86 ALPL (0.38) TP53MAPTCA2CA4CA9
SCHEMBL2340396 0.86 MEN1 (0.41) TP53CDK4CCND1CA2CA9
SCHEMBL2347577 0.86 LMNA (0.41) MAPTCA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP claimed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP claimed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO claimed
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO disclosed