SCHEMBL31507682

SCHEMBL31507682

C=CC(F)(F)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ NFE2L2 Q16236 1/20 0.36
▸ HSD11B1 P28845 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ AOC2 O75106 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ HSPB1 P04792 1/20 0.31
▸ TGM2 P21980 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL10639592 0.80 TSHR (0.36) MAOBTGM2ALDH1A1
SCHEMBL255560 0.74 GPR3 (0.52) GAAHSD11B1GPR3MAOBALDH1A1
SCHEMBL23573811 0.71 ESR1 (0.52) GAAPTGS1ALDH1A1LMNA
SCHEMBL10603546 0.70 GAA (0.42) GAANFE2L2HSD11B1GPR3MAOB
SCHEMBL19477799 0.70 GAA (0.42) GAANFE2L2HSD11B1GPR3MAOA
SCHEMBL11517920 0.69 NFE2L2 (0.37) GAANFE2L2
SCHEMBL7937983 0.68 GPR3 (0.47) GAAHSD11B1GPR3SOS1HSPB1
SCHEMBL3160868 0.68 NFE2L2 (0.39) GAANFE2L2MAOAMAOBSOS1
SCHEMBL7938385 0.68 KIF11 (0.50) GAAHSD11B1GPR3
SCHEMBL4456125 0.68 ALDH1A1 (0.43) GAANFE2L2GPR3MAOAMAOB

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
WO-2025072392-A1 TRIAZOLOPYRIDINYL ETHER LINKED COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 — — WO disclosed
Send feedback