SCHEMBL6154669

SCHEMBL6154669

COC(=O)CC1=C(C(=O)OC)C(c2c(Cl)cccc2Cl)C(C(=O)OC)=C(CCc2ccccc2CSc2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 3/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 3/20 0.36
HSD17B10 Q99714 3/20 0.36
RECQL P46063 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TBXA2R P21731 3/20 0.35
ADRA1A P35348 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL6153142 0.94 CYP2C9 (0.37) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6153144 0.94 PPARG (0.35) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7492036 0.90 ALDH1A1 (0.40) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6154618 0.88 KDM4E (0.36) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6945502 0.85 HSD17B10 (0.36) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6940628 0.85 CYP2C9 (0.36) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6153193 0.85 LMNA (0.36) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL7837790 0.84 MEN1 (0.44) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL7491122 0.83 MEN1 (0.35) MEN1KMT2ACYP2C9CYP3A4ALDH1A1
SCHEMBL6152458 0.83 SLC6A4 (0.35) MEN1KMT2ACYP2C9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO disclosed