SCHEMBL3570707

SCHEMBL3570707

CNc1ccccc1C(=O)N(CCc1ccc(F)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
NR1H4 Q96RI1 4/20 0.38
PPARG P37231 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ESRRG P62508 4/20 0.37
ESRRB O95718 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3578799 0.93 TP53 (0.39) C5AR1NR1H4PPARGTP53MAPT
SCHEMBL3575452 0.91 KMT2A (0.42) C5AR1NR1H4PPARGESRRGESRRB
SCHEMBL3583634 0.91 SERPINE1 (0.39) C5AR1NR1H4TP53MAPTESRRG
SCHEMBL3587595 0.88 C5AR1 (0.49) C5AR1NR1H4ESRRGESRRBOPRM1
SCHEMBL3575602 0.86 LPAR1 (0.38) NR1H4PPARGTP53MAPTESRRG
SCHEMBL3581107 0.84 RAB9A (0.37) C5AR1NR1H4TP53MAPTESRRG
SCHEMBL3579507 0.84 HDAC8 (0.41) NR1H4PPARGKMT2A
SCHEMBL3579634 0.83 SERPINE1 (0.40) C5AR1NR1H4TP53MAPTESRRG
SCHEMBL3574429 0.81 KDM4C (0.39) NR1H4MAPTESRRGESRRBOPRM1
SCHEMBL3573203 0.81 RAF1 (0.40) C5AR1NR1H4TP53MAPTESRRG

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