SCHEMBL3577510

SCHEMBL3577510

CNc1ccc(Cl)cc1C(=O)N(CCn1nccc1C(F)(F)F)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.36
CYP19A1 P11511 1/20 0.35
CCR9 P51686 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CCR2 P41597 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CCR1 P32246 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL3574965 0.86 ALDH1A1 (0.38) SERPINE1CCR9KDM4EALDH1A1CCR2
SCHEMBL3578962 0.85 CCR1 (0.37) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3577474 0.85 CCR9 (0.35) SERPINE1CYP19A1CCR9KDM4EALDH1A1
SCHEMBL3580080 0.84 KLKB1 (0.36) SERPINE1CYP19A1CCR9KDM4EALDH1A1
SCHEMBL3582314 0.83 CCR9 (0.38) SERPINE1CYP19A1CCR9CCR2LMNA
SCHEMBL3576392 0.83 HCRTR1 (0.38) SERPINE1CYP19A1CCR9KDM4EALDH1A1
SCHEMBL3584396 0.80 C5AR1 (0.44) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3583634 0.79 SERPINE1 (0.39) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3576868 0.79 HCRTR1 (0.42) SERPINE1CCR9TRPM8
SCHEMBL3581366 0.79 HCRTR1 (0.38) SERPINE1CCR9KDM4EALDH1A1GLA

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