SCHEMBL3578799

SCHEMBL3578799

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ESRRG P62508 3/20 0.39
ESRRB O95718 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NR1H4 Q96RI1 4/20 0.38
PPARG P37231 3/20 0.38
C5AR1 P21730 1/20 0.37
RCE1 Q9Y256 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
PPARA Q07869 1/20 0.36
EPHX2 P34913 1/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3570707 0.93 C5AR1 (0.39) TP53MAPTESRRGESRRBOPRM1
SCHEMBL3575452 0.91 KMT2A (0.42) ESRRGESRRBOPRM1OPRD1NR1H4
SCHEMBL3575602 0.88 LPAR1 (0.38) TP53MAPTESRRGNR1H4PPARG
SCHEMBL3587595 0.86 C5AR1 (0.49) ESRRGESRRBOPRM1OPRD1NR1H4
SCHEMBL3581107 0.84 RAB9A (0.37) TP53MAPTESRRGESRRBNR1H4
SCHEMBL3579507 0.84 HDAC8 (0.41) NR1H4PPARGPPARAKMT2A
SCHEMBL3583634 0.83 SERPINE1 (0.39) TP53MAPTESRRGESRRBNR1H4
SCHEMBL3574429 0.81 KDM4C (0.39) MAPTESRRGESRRBOPRM1OPRD1
SCHEMBL3573203 0.81 RAF1 (0.40) TP53MAPTESRRGESRRBOPRM1
SCHEMBL3579634 0.81 SERPINE1 (0.40) TP53MAPTESRRGESRRBNR1H4

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