SCHEMBL31744058

SCHEMBL31744058

O=c1[nH]c2ccc(Cl)cc2n1-c1ccc(N2CCC(F)(F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AURKA O14965 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAT2A P31153 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36

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
SCHEMBL31743785 0.84 GFER (0.42) DAOLMNAMEN1KMT2ATSHR
SCHEMBL31743832 0.84 TSHR (0.60) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL31743860 0.82 AURKA (0.40) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL11348908 0.81 LMNA (0.62) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL31743953 0.76 MEN1 (0.77) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL8886284 0.76 MEN1 (0.77) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL11340809 0.75 DAO (0.53) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL31743751 0.74 SMN1; SMN2 (0.50) DAOLMNAMEN1KMT2ATSHR
SCHEMBL11337561 0.73 TP53 (0.56) DAOLMNAMEN1KMT2AL3MBTL1
SCHEMBL8883239 0.73 KMT2A (0.63) DAOLMNAMEN1KMT2AL3MBTL1

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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