SCHEMBL17826987

SCHEMBL17826987

CCc1cncc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SCN10A Q9Y5Y9 4/20 0.43
SCN2A Q99250 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
BACE1 P56817 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL4591849 0.83 MAP4K4 (0.49) MAP4K4SCN10ASCN2AGRIN1GRIN2B
SCHEMBL16135138 0.81 GPR55 (0.59) PRMT5WDR77SCN10AGPR55CHRNB4
SCHEMBL4591262 0.81 CYP11B1 (0.53) MAP4K4PRMT5WDR77SCN10ASCN2A
SCHEMBL9413197 0.81 MAP4K4 (0.51) MAP4K4PRMT5WDR77SCN10ASCN2A
SCHEMBL10271979 0.81 CYP11B1 (0.54) PRMT5WDR77GPR55MKNK1MKNK2
SCHEMBL26614623 0.81 CYP2A6 (0.50) PRMT5WDR77GPR55BACE1KCNH2
SCHEMBL13177775 0.80 CYP1A1 (0.45) PRMT5WDR77GPR55BACE1KCNH2
SCHEMBL13990892 0.77 CYP2A6 (0.53) PRMT5WDR77SCN10AKCNH2CYP11B1
SCHEMBL12525157 0.76 PRMT5 (0.41) PRMT5WDR77GPR55BACE1KCNH2
SCHEMBL805059 0.76

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
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed