SCHEMBL3580698

SCHEMBL3580698

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
LMNA P02545 2/20 0.42
UTS2R Q9UKP6 2/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CCR9 P51686 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSPH1 Q92598 1/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL3577159 0.92 C5AR1 (0.42) C5AR1LMNAUTS2RKDM4EALDH1A1
SCHEMBL3571491 0.92 C5AR1 (0.42) C5AR1LMNAUTS2RKDM4EALDH1A1
SCHEMBL3584396 0.91 C5AR1 (0.44) C5AR1LMNACNR1KDM4EALDH1A1
SCHEMBL3571528 0.87 TP53 (0.41) C5AR1LMNAKDM4EALDH1A1GLA
SCHEMBL3586383 0.87 NLRP3 (0.39) C5AR1LMNAKDM4EALDH1A1GLA
SCHEMBL3572707 0.87 CCR9 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3575609 0.87 LMNA (0.43) C5AR1LMNACNR1MEN1CYP1A2
SCHEMBL3586185 0.86 LMNA (0.43) C5AR1LMNACNR1GAAMEN1
SCHEMBL3585679 0.86 LMNA (0.44) C5AR1LMNACNR1GAAMEN1
SCHEMBL3584461 0.86 LMNA (0.44) C5AR1LMNACNR1GAAMEN1

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