SCHEMBL31743918

SCHEMBL31743918

O=c1[nH]c2ccc(C3CC3)cc2n1-c1cnn(C2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 2/20 0.42
▸ CHRM2 P08172 2/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RPS6KA2 Q15349 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ ALK Q9UM73 2/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ USP1 O94782 1/20 0.34
▸ EML4 Q9HC35 1/20 0.34
▸ LRRK2 Q5S007 4/20 0.33
▸ TLR9 Q9NR96 3/20 0.33
▸ TLR8 Q9NR97 3/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL31743882 0.86 JAK2 (0.44) MAT2ACHRM2CHRM4CHRM1CHRM5
SCHEMBL4636632 0.70 CHRM1 (0.73) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL31743686 0.70 PPARG (0.39) BTK
Hydrochloric Acid SCHEMBL4669805 0.70 CHRM1 (0.72) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL31743856 0.65 KMT2A (0.44) MAT2AJAK2JAK3
SCHEMBL31285902 0.62 PGR (0.48) MAT2ACHRM2CHRM4CHRM1CHRM5
SCHEMBL4941347 0.62 PGR (0.48) MAT2ACHRM2CHRM4CHRM1CHRM5
SCHEMBL4636059 0.62 CHRM1 (0.53) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL31743876 0.62 LRRK2 (0.46) BTKALKJAK2JAK3JAK1
SCHEMBL22093437 0.62 MAT2A (0.70) MAT2A

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-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
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