SCHEMBL4040123

SCHEMBL4040123

Cc1[nH]c(CCNC(=O)O)nc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
SLC16A3 O15427 1/20 0.41
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
HIF1A Q16665 1/20 0.39
THRB P10828 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL4035532 0.86 SMN1; SMN2 (0.43) HTTTAAR1SMN1; SMN2LMNAGAA
SCHEMBL1928593 0.83 ALDH1A1 (0.41) SMN1; SMN2LMNAGAARAB9ATSHR
SCHEMBL11282655 0.78 HPGDS (0.45) HTTSMN1; SMN2RAB9ATSHRALDH1A1
SCHEMBL22585905 0.76 EGFR (0.44) SMN1; SMN2ALDH1A1PIN1
SCHEMBL13865061 0.75 RAB9A (0.50) SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6813405 0.74 GAA (0.46) GAA
SCHEMBL2338147 0.74 LTA4H (0.42) ALDH1A1HIF1A
SCHEMBL1696508 0.73 TP53 (0.53) SMN1; SMN2ALDH1A1
SCHEMBL6428383 0.73 TLR8 (0.40) SMN1; SMN2
SCHEMBL2337944 0.72 PIN1 (0.45) HTTRAB9AALDH1A1PIN1

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