SCHEMBL3579734

SCHEMBL3579734

CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.40
SIGMAR1 Q99720 11/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
C5AR1 P21730 1/20 0.35
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
STAT5B P51692 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 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
SCHEMBL3576767 0.98 SERPINE1 (0.38) SERPINE1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3583688 0.89 C5AR1 (0.42) SERPINE1OPRM1OPRD1C5AR1MEN1
SCHEMBL3577940 0.88 SERPINE1 (0.38) SERPINE1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3570645 0.88 SERPINE1 (0.37) SERPINE1C5AR1STAT3STAT1STAT5B
SCHEMBL3584132 0.86 LMNA (0.39) SERPINE1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3581310 0.86 SERPINE1 (0.35) SERPINE1CYP3A4CYP2D6TSHRC5AR1
SCHEMBL3583457 0.84 LMNA (0.39) SERPINE1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3574145 0.82 SCN9A (0.39) STAT3
SCHEMBL3577493 0.82 LMNA (0.40) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3575607 0.81 CNR1 (0.40) STAT3

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