SCHEMBL7494539

SCHEMBL7494539

COC(=O)C(=Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL11778569 0.79 MAPT (0.45) ALDH1A1KMT2AHPGDMEN1
SCHEMBL7836232 0.79 MEN1 (0.45) L3MBTL1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL7836234 0.79 MEN1 (0.45) L3MBTL1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL6161539 0.72 PLAAT3 (0.37) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6161533 0.72 PLAAT3 (0.37) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7494533 0.68 CES2 (0.40) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL11469937 0.68 MEN1 (0.54) KMT2AHPGDMEN1CYP1A2CYP2C9
SCHEMBL8635949 0.68 FFAR1 (0.63) ALDH1A1KMT2AFFAR1NPC1MEN1
SCHEMBL6975399 0.68 ALDH1A1 (0.36) L3MBTL1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL11068987 0.68 FFAR1 (0.53) L3MBTL1ALDH1A1KDM4EFFAR1RAB9A

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