SCHEMBL14872141

SCHEMBL14872141

COC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
PTGS2 P35354 1/20 0.45
CASP1 P29466 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NOTUM Q6P988 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL2271347 0.87 LMNA (0.56) LMNAMAPTCES2CES1NOTUM
SCHEMBL13063663 0.87 LMNA (0.56) LMNAMAPTCES2CES1NOTUM
SCHEMBL1549339 0.87 CFTR (0.46) LMNAADORA3MAPTCASP1NOTUM
SCHEMBL2952112 0.85 LMNA (0.64) LMNAMAPTTRPV1PTPN1KDM4E
SCHEMBL2267893 0.85 LMNA (0.53) LMNAADORA3MAPTTRPV1PTPN1
SCHEMBL385370 0.85 LMNA (0.60) LMNAMAPTTRPV1CES2CES1
Ammonia Solution, Strong SCHEMBL27316369 0.84 LMNA (0.59) LMNAMAPTTRPV1CES2CES1
SCHEMBL5203797 0.82 ALDH1A1 (0.51) LMNAMAPTTP53PTPN1KDM4E
SCHEMBL5203117 0.82 ABCG2 (0.58) LMNAMAPTABCG2TDP1KDM4E
SCHEMBL29893354 0.81 LMNA (0.47) LMNAADORA3SIRT5MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013054302-A1 METHOD FOR PREPARING TRIARYL(HETEROARYL)BISMUTHS, AND USES THEREOF FOR THE SYNTHESIS OF AROMATIC OR HETEROAROMATIC DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-04-18 WO disclosed