SCHEMBL4035532

SCHEMBL4035532

CCc1[nH]c(CCNC(=O)O)nc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC16A3 O15427 1/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ABL1 P00519 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL4040123 0.86 HTT (0.45) SMN1; SMN2HTTLMNATAAR1HIF1A
SCHEMBL1927642 0.84 ALDH1A1 (0.41) SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL1928593 0.73 ALDH1A1 (0.41) SMN1; SMN2LMNAGAATSHRALDH1A1
SCHEMBL2338147 0.71 LTA4H (0.42) HIF1AALDH1A1
SCHEMBL6861405 0.71 PIN1 (0.41) SMN1; SMN2LMNAGAAADORA3TSHR
SCHEMBL10454789 0.69 HTT (0.76) SMN1; SMN2HTTLMNAGAATSHR
SCHEMBL1728418 0.68 CNR1 (0.59) HTTLMNAHIF1AGAACNR1
SCHEMBL14736459 0.68 CYP3A4 (0.43) HTTLMNAHIF1AGAAALDH1A1
SCHEMBL6547467 0.66 KDM4E (0.50) SMN1; SMN2HTTLMNAGAATSHR
SCHEMBL2343491 0.66 KDM4E (0.50) SMN1; SMN2LMNAGAAALDH1A1

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