SCHEMBL4039334

SCHEMBL4039334

CCc1ccc(-c2c[nH]c(CCNC(=O)O)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
ALPL P05186 1/20 0.42
TP53 P04637 7/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
LMNA P02545 2/20 0.35
METAP2 P50579 1/20 0.35
HPGD P15428 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL4034229 0.91 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2CA9TP53MAPT
SCHEMBL4033995 0.87 TP53 (0.42) RAB9ASMN1; SMN2CA9ALPLTP53
SCHEMBL4038177 0.86 DHODH (0.42) SMN1; SMN2CA9CA12TP53MAPT
SCHEMBL2338147 0.85 LTA4H (0.42) TP53MAPTLTA4HPLA2G2A
SCHEMBL14736459 0.85 CYP3A4 (0.43) TP53MAPTHTTLTA4HPLA2G2A
SCHEMBL2340396 0.84 MEN1 (0.41) RAB9ASMN1; SMN2CA9CA12ALPL
SCHEMBL4699279 0.84 ALPL (0.38) CA9ALPLTP53MAPTKDM4E
SCHEMBL2347577 0.84 LMNA (0.41) MAPTPOLBKDM4ELMNACA2
SCHEMBL2341417 0.84 ESRRG (0.39) RAB9AMAPTNPC1POLBLMNA
SCHEMBL2342801 0.84 NR1H4 (0.43) RAB9ASMN1; SMN2TP53MAPTNPC1

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