SCHEMBL31744130

SCHEMBL31744130

O=c1[nH]c2ccc(Cl)cc2n1-c1cnc(N2CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ KCNH2 Q12809 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ MAT2A P31153 3/20 0.43
▸ DAO P14920 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL31743832 0.86 TSHR (0.60) TSHRAURKAMAT2ADAOMEN1
SCHEMBL31743982 0.74 PHGDH (0.56) TSHRJAK2JAK3DAOMEN1
SCHEMBL11348908 0.73 LMNA (0.62) TSHRAURKAMAT2ADAOMEN1
SCHEMBL31743882 0.73 JAK2 (0.44) TSHRKCNH2JAK2JAK3AURKA
SCHEMBL738090 0.71 HTR7 (0.50) TSHRKCNH2DAOMEN1KMT2A
SCHEMBL31744058 0.71 DAO (0.48) TSHRAURKAMAT2ADAOMEN1
SCHEMBL8883239 0.70 KMT2A (0.63) AURKAMAT2ADAOMEN1KMT2A
SCHEMBL8886284 0.70 MEN1 (0.77) AURKAMAT2ADAOMAPK8MEN1
SCHEMBL31743953 0.70 MEN1 (0.77) AURKAMAT2ADAOMAPK8MEN1
SCHEMBL31743860 0.70 AURKA (0.40) KCNH2AURKAMAT2ADAOMEN1

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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