SCHEMBL3577185

SCHEMBL3577185

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)ccc2NC2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
S1PR1 P21453 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HSPH1 Q92598 1/20 0.38
MPO P05164 1/20 0.38
CCR1 P32246 4/20 0.37
HDAC8 Q9BY41 3/20 0.36

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
SCHEMBL3575609 0.89 LMNA (0.43) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3585675 0.89 LIPC (0.46) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3578904 0.87 LMNA (0.44) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3571600 0.87 LMNA (0.42) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3572867 0.87 MEN1 (0.38) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3571486 0.87 LMNA (0.41) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3586536 0.86 MCHR1 (0.37) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3586188 0.86 NR3C1 (0.43) LMNAHPGDCNR1
SCHEMBL3580426 0.86 HSPH1 (0.42) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3580626 0.85 LMNA (0.40) LMNAHPGDMEN1CYP1A2CYP3A4

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