SCHEMBL30103039

SCHEMBL30103039

ClCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 3/20 0.41
SRC P12931 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAP4K4 O95819 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2554715 1.00 RAB9A (0.45) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4592575 0.83 GFER (0.46) RAB9ANPC1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL31434781 0.82 GRM5 (0.38) SRC
SCHEMBL9425353 0.82 GRM5 (0.38) SRC
SCHEMBL4591869 0.80 CNR2 (0.48) RAB9ANPC1SMN1; SMN2MAP4K4MAPT
SCHEMBL25304675 0.79 RAB9A (0.45) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL5114909 0.79 PIK3CA (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL10271458 0.79 RAB9A (0.45) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL10133262 0.79 TAAR1 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL30083604 0.79 TAAR1 (0.50) RAB9ANPC1NFKB1NFKB2RELA

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed