SCHEMBL3578408

SCHEMBL3578408

CC(=O)Nc1ccncc1C(=O)N(CCc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
RAET1L Q5VY80 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
ROCK2 O75116 1/20 0.36
RAF1 P04049 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ESRRG P62508 2/20 0.35
FLT1 P17948 3/20 0.35
KDR P35968 3/20 0.35
MAPK14 Q16539 1/20 0.35
IL2 P60568 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
ESRRB O95718 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL3572359 0.91 TRPV1 (0.37) TRPV1ROCK2RAF1ESRRGMAPK14
SCHEMBL3583321 0.87 TRPV1 (0.42) TRPV1HIF1AEPAS1
SCHEMBL3571051 0.83 NR1H4 (0.37) TRPV1ROCK2ESRRGESRRB
SCHEMBL9957841 0.81 ESRRG (0.39) TRPV1SLC22A12ROCK2RAF1ESRRG
SCHEMBL3577133 0.80 CYP51A1 (0.36) TRPV1ROCK2RPS6KB1ESRRGESRRB
SCHEMBL3583632 0.78 RAF1 (0.37) RAF1AURKARPS6KB1KDR
SCHEMBL12520972 0.77 TRPM8 (0.37) ESRRGESRRB
SCHEMBL3574429 0.77 KDM4C (0.39) TRPV1ROCK2ESRRGESRRB
SCHEMBL3578904 0.76 LMNA (0.44) MEN1KMT2A
SCHEMBL3576126 0.75 CYP2C19 (0.37) TRPV1SLC22A12ROCK2ESRRGESRRB

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