SCHEMBL27730378

SCHEMBL27730378

N#CCNc1c(Cl)ccc(F)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
HSD11B1 P28845 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.33
MGLL Q99685 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CCR1 P32246 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL3583574 0.92 HSD11B1 (0.34) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3580976 0.87 MCL1 (0.35) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27730387 0.87 S1PR1 (0.36) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27730380 0.86 LMNA (0.34) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3577795 0.83 LMNA (0.38) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27750941 0.83 MCL1 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3580280 0.81 DCUN1D1 (0.36) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3578656 0.81 MCL1 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27750967 0.81 S1PR1 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3581174 0.81 LMNA (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6

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