SCHEMBL27630355

SCHEMBL27630355

CCN(Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.44
NR1H3 Q13133 7/20 0.44
PPARD Q03181 2/20 0.41
KIF11 P52732 1/20 0.41
VCP P55072 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
DHFR P00374 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 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
SCHEMBL4852853 0.83 PPARD (0.53) PPARDPPARGPPARA
SCHEMBL27650476 0.80 PPARD (0.54) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL27630406 0.76 PPARD (0.47) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL3372091 0.74 PPARD (0.47) PPARDKIF11KDM4EMEN1HSP90AA1
SCHEMBL3065978 0.72 CYP11B1 (0.47) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL5691394 0.72 PPARD (0.46) PPARDKIF11KDM4EMEN1HSP90AA1
SCHEMBL3370403 0.71 PPARD (0.45) PPARDKIF11KDM4EMEN1HSP90AA1
SCHEMBL15109598 0.71 PPARD (0.45) PPARDKIF11NPC1ALDH1A1GAA
SCHEMBL2096650 0.71 PPARD (0.47) PPARDKIF11KDM4EMEN1HSP90AA1
SCHEMBL5692060 0.69 PPARD (0.43) PPARDKIF11KDM4EMEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN claimed
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed