SCHEMBL3581173

SCHEMBL3581173

CN(C#N)c1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
STAT3 P40763 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
S1PR5 Q9H228 1/20 0.35
C5AR1 P21730 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3577794 0.97 LMNA (0.37) CCR1STAT3LMNAHPGDS1PR1
SCHEMBL3576381 0.89 STAT3 (0.38) STAT3ATMCNR1KCNH2LPAR1
SCHEMBL3576630 0.86 LPAR1 (0.37) STAT3C5AR1ATMCNR1KCNH2
SCHEMBL3581174 0.86 LMNA (0.37) CCR1STAT3LMNAHPGDS1PR1
SCHEMBL3577892 0.85 SLC2A1 (0.40) LMNAHPGDC5AR1MEN1CYP1A2
SCHEMBL3577791 0.85 LMNA (0.37) CCR1STAT3LMNAHPGDS1PR1
SCHEMBL3569717 0.84 LMNA (0.40) CCR1STAT3LMNAHPGDS1PR1
SCHEMBL3580975 0.84 S1PR1 (0.34) CCR1STAT3LMNAS1PR1GRK5
SCHEMBL27730389 0.84 S1PR1 (0.37) CCR1STAT3LMNAHPGDS1PR1
SCHEMBL3583457 0.83 LMNA (0.39) CCR1STAT3LMNAHPGDS1PR1

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 4 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
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