SCHEMBL30367705

SCHEMBL30367705

O=C(O)c1cccc(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.57
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ACMSD Q8TDX5 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SCN9A Q15858 12/20 0.53
CTSA P10619 1/20 0.49
ERN1 O75460 1/20 0.48
ECE1 P42892 1/20 0.47
CA12 O43570 1/20 0.46
ALPL P05186 1/20 0.46
RPA1 P27694 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46

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
SCHEMBL1137226 1.00 HSD17B14 (0.57) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL365163 0.91 SCN9A (0.67) SCN9A
SCHEMBL3207980 0.85 KDM4E (0.59) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL208097 0.85 KDM4E (0.64) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL18287241 0.84 HSD17B14 (0.56) HSD17B14SCN9ACTSA
SCHEMBL28876906 0.84 SCN9A (0.62) HSD17B14SCN9A
Hydrochloric Acid SCHEMBL29133274 0.83 KDM4E (0.61) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL30900591 0.83 KMO (0.63) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL3054255 0.83 KMO (0.63) HSD17B14KDM4EALOX15TSHRACMSD
SCHEMBL31301301 0.82 CNR2 (0.56) KDM4EALOX15TSHRACMSDTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003406-B Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2024-01-23 CN disclosed
WO-2023155886-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-08-24 WO disclosed
CN-116003406-A Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2023-04-25 CN disclosed
WO-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed