SCHEMBL4035744

SCHEMBL4035744

CSc1ccc(-c2ccc(-c3c[nH]c(CCNC(=O)O)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
MAPT P10636 5/20 0.40
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A3 P47895 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4033995 0.88 TP53 (0.42) ADORA3ADORA1MAPTSMN1; SMN2
SCHEMBL2338147 0.87 LTA4H (0.42) MAPTNQO2ALDH1A1
SCHEMBL4032795 0.85 MEN1 (0.41) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4037321 0.85 MAPT (0.43) MAPTKDM4EMEN1HPGDKMT2A
SCHEMBL2342371 0.85 LMNA (0.40) HAO1MAPTKDM4EPOLB
SCHEMBL14736459 0.84 CYP3A4 (0.43) MAPTMEN1ALDH1A1KMT2A
SCHEMBL4039334 0.84 RAB9A (0.45) MAPTKDM4ESMN1; SMN2POLBHPGD
SCHEMBL2340396 0.83 MEN1 (0.41) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4699279 0.83 ALPL (0.38) ADORA2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL2347577 0.83 LMNA (0.41) MAPTKDM4EPOLB

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 3 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 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