SCHEMBL9956474

SCHEMBL9956474

CCC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(F)c(OC)c1F)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.36
CACNA1H O95180 1/20 0.32
CCR9 P51686 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3578417 0.78 MCL1 (0.38) MAPTMEN1KMT2A
SCHEMBL3574035 0.77 MEP1B (0.36) MEP1BCACNA1HPPARGPPARDPPARA
SCHEMBL3579938 0.73 MAPT (0.42) MAPTMEN1KMT2AL3MBTL1TP53
SCHEMBL3578978 0.73 CNR1 (0.43) MEN1KMT2A
SCHEMBL3577419 0.71 NR1H4 (0.37) MAPTMEN1KMT2ATP53
SCHEMBL3582291 0.69 MCL1 (0.39) MEN1KMT2A
SCHEMBL3577275 0.69 MCL1 (0.39) MEN1KMT2A
SCHEMBL3581034 0.69 LPAR1 (0.36) MEP1BCACNA1HPPARGPPARDPPARA
SCHEMBL3571223 0.68 MAPK14 (0.39) MEN1KMT2ATSHR
SCHEMBL3581360 0.67 MCL1 (0.40) PPARGPPARDPPARAMEN1KMT2A

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed