SCHEMBL7494533

SCHEMBL7494533

COC(=S)C(=Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL7494530 0.79 CES2 (0.42) CES2CES1KMT2AMEN1LMNA
SCHEMBL7836232 0.74 MEN1 (0.45) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL7836234 0.74 MEN1 (0.45) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL11778569 0.71 MAPT (0.45) KMT2AMEN1HPGDALDH1A1GLA
SCHEMBL7494539 0.68 L3MBTL1 (0.44) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL17868894 0.67 CES2 (0.47) CES2CES1KMT2AMEN1LMNA
SCHEMBL17868893 0.67 CES2 (0.47) CES2CES1KMT2AMEN1LMNA
Methyl Phenylpyruvate SCHEMBL237446 0.65 CES2 (0.64) CES2CES1KMT2AMEN1LMNA
SCHEMBL11778563 0.64 MEN1 (0.60) KMT2AMEN1LMNAALDH1A1CYP1A2
Methyl Phenylpyruvate SCHEMBL27849227 0.64 CES2 (0.61) CES2CES1KMT2AMEN1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882044-B1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER (US) 2002-07-17 EP disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
US-6131226-A 2-SUBSTITUTED,3,5-BIS(METHOXYCARBONYL),4-(2,6-DIHALOPHENYL), 6-(1-((SUBSTITUTED)RING)PIPERAZIN-1,4-YLENE-CARBONYLMETHYL)-1, 4-DIHYDROPYRIDINES; FOR TREATING INFLAMMATION, PAIN, VIRAL INFECTIONS, CARDIOVASCULAR DISEASE, ALLERGIES, ASTHMA PFIZER INC. (US) 2000-10-17 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 EP disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
EP-0882044-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1998-12-09 EP disclosed
WO-1997030048-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-08-21 WO disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed