SCHEMBL3578656

SCHEMBL3578656

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR1 P21554 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
DCUN1D1 Q96GG9 4/20 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
SCHEMBL27750941 0.93 MCL1 (0.37) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL3579273 0.92 LMNA (0.37) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL27750967 0.92 S1PR1 (0.39) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL3580976 0.91 MCL1 (0.35) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL3581360 0.88 MCL1 (0.40) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL3581035 0.88 CNR1 (0.39) CNR1
SCHEMBL3576623 0.86 LMNA (0.41) LMNAHPGDMEN1KMT2ACYP1A2
SCHEMBL3580280 0.85 DCUN1D1 (0.36) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3580975 0.84 S1PR1 (0.34) MCL1LMNAMEN1KMT2ACYP1A2
SCHEMBL3568221 0.84 SLC2A1 (0.36) MCL1LMNAHPGDMEN1KMT2A

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed