SCHEMBL27730385

SCHEMBL27730385

CNc1cccc(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
UTS2R Q9UKP6 2/20 0.41
C5AR1 P21730 1/20 0.40
MCL1 Q07820 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL27730382 0.92 C5AR1 (0.39) LMNAMEN1KMT2AMAPTHTT
SCHEMBL3583039 0.88 CNR1 (0.43) LMNAMEN1KMT2AMAPTCNR1
SCHEMBL3580698 0.82 C5AR1 (0.44) LMNAMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL27750967 0.81 S1PR1 (0.39) LMNAMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL3577052 0.80 C5AR1 (0.37) LMNAMEN1KMT2AMAPTCNR1
SCHEMBL3578978 0.79 CNR1 (0.43) LMNAMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL3574236 0.77 LMNA (0.40) LMNAMEN1KMT2AMAPTCNR1
SCHEMBL3583628 0.77 MCL1 (0.40) LMNAMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL3581360 0.77 MCL1 (0.40) LMNAMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL3587595 0.76 C5AR1 (0.49) LMNAMEN1KMT2ACNR1CYP1A2

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-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed