SCHEMBL28634455

SCHEMBL28634455

C[C@@H](O)CNCc1nc(Cl)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 14/20 0.48
PDCD1LG2 Q9BQ51 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
AMY1A P0DUB6 1/20 0.38

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
SCHEMBL28634457 1.00 TRPV3 (0.48) TRPV3PDCD1LG2CD274ALDH1A1CYP1A2
SCHEMBL22345810 0.88 TRPV3 (0.44) TRPV3
SCHEMBL30850043 0.88 TRPV3 (0.44) TRPV3
SCHEMBL20268380 0.87 TRPV3 (0.42) TRPV3PDCD1LG2CD274
SCHEMBL22345797 0.87 TRPV3 (0.42) TRPV3PDCD1LG2CD274
SCHEMBL29442719 0.87 TRPV3 (0.42) TRPV3PDCD1LG2CD274
SCHEMBL20268384 0.87 TRPV3 (0.42) TRPV3PDCD1LG2CD274
SCHEMBL30850026 0.87 TRPV3 (0.42) TRPV3PDCD1LG2CD274
SCHEMBL22345802 0.83 TRPV3 (0.49) TRPV3PDCD1LG2CD274ALDH1A1CYP1A2
SCHEMBL22345799 0.83 TRPV3 (0.49) TRPV3PDCD1LG2CD274ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206566-A Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-06-18 CN disclosed
CN-113474349-B Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-03-01 CN disclosed
CN-113474349-A Hydroxypyridooxazepine heptatrienes as NRF2 activators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-01 CN disclosed