SCHEMBL30401980

SCHEMBL30401980

Cc1ccc2c(Nc3ccnc(C(F)(F)F)c3)nccc2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
LCK P06239 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL25375140 1.00 FAAH (0.42) FAAHLCKBRAFKDRTEK
SCHEMBL2263354 0.85 BRAF (0.56) LCKBRAFKDRTEKALDH1A1
SCHEMBL30402048 0.85 BRAF (0.56) LCKBRAFKDRTEKALDH1A1
SCHEMBL23015918 0.83 ARNT (0.48) LCKBRAFKDRTEKNPC1
SCHEMBL24399710 0.80 FAAH (0.43) FAAHLCKBRAFKDRTEK
SCHEMBL29638708 0.80 FAAH (0.43) FAAHLCKBRAFKDRTEK
SCHEMBL23015908 0.80 EPHX2 (0.43) LCKBRAFKDRTEKNPC1
SCHEMBL15068858 0.80 SYK (0.41) LCKBRAFKDRTEKALDH1A1
SCHEMBL3681539 0.80 BRAF (0.51) LCKBRAFKDRTEKALDH1A1
SCHEMBL25374256 0.80 BRAF (0.39) LCKBRAFKDRTEKNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed