SCHEMBL4034229

SCHEMBL4034229

CCCc1ccc(-c2c[nH]c(CCNC(=O)O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CTRC Q99895 1/20 0.37
MITF O75030 1/20 0.37
KLF5 Q13887 1/20 0.37
MCL1 Q07820 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
SCHEMBL4039334 0.91 RAB9A (0.45) SMN1; SMN2RAB9ANPC1KDM4EHPGD
SCHEMBL4033995 0.86 TP53 (0.42) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL4038177 0.85 DHODH (0.42) SMN1; SMN2KDM4EMEN1KMT2ATP53
SCHEMBL2338147 0.84 LTA4H (0.42) TP53MAPTALDH1A1
SCHEMBL14736459 0.84 CYP3A4 (0.43) MEN1KMT2ATP53MAPTLMNA
SCHEMBL2347577 0.83 LMNA (0.41) KDM4EMAPTCA2LMNAMCL1
SCHEMBL4699279 0.83 ALPL (0.38) KDM4EHPGDMEN1KMT2ATP53
SCHEMBL2340396 0.83 MEN1 (0.41) SMN1; SMN2RAB9ANPC1KDM4EMEN1
SCHEMBL1927358 0.83 HRH4 (0.44) KMT2AALDH1A1
SCHEMBL2341417 0.83 ESRRG (0.39) RAB9ANPC1HPGDMEN1KMT2A

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