SCHEMBL28923686

SCHEMBL28923686

OC(CNCc1nc(Br)ccc1F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TRPV3 Q8NET8 14/20 0.39
PKM P14618 1/20 0.39
CFTR P13569 2/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL28923685 1.00 GAA (0.50) GAATRPV3PKMCFTRPDCD1
SCHEMBL22345794 0.84 GAA (0.56) GAATRPV3PKMPDCD1CD274
SCHEMBL22345795 0.84 GAA (0.56) GAATRPV3PKMPDCD1CD274
SCHEMBL22345802 0.82 TRPV3 (0.49) TRPV3CD274
SCHEMBL26618708 0.82 TRPV3 (0.49) TRPV3CD274
SCHEMBL22345799 0.82 TRPV3 (0.49) TRPV3CD274
SCHEMBL30850022 0.82 TRPV3 (0.49) TRPV3CD274
SCHEMBL18137673 0.68 ADH1B (0.37)
SCHEMBL1864095 0.68 KDM4E (0.32) TRPV3
SCHEMBL14921437 0.66 GAA (0.70) GAAPKM

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
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