SCHEMBL25699341

SCHEMBL25699341

CNCCSCCOC(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 6/20 0.55
▸ AKR1B1 P15121 6/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ APP P05067 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL25699257 0.92 AKR1B10 (0.52) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL5710793 0.89 AKR1B10 (0.67) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL15929682 0.87 AKR1B10 (0.65) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL14582393 0.83 AKR1B10 (0.60) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
Phenol SCHEMBL8680168 0.83 AKR1B10 (0.62) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL22881929 0.81 AKR1B10 (0.61) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL25177109 0.78 AKR1B10 (0.53) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL25177110 0.78 AKR1B10 (0.53) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL19279512 0.78 AKR1B10 (0.83) AKR1B10AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL9277968 0.78 AKR1B10 (0.83) AKR1B10AKR1B1ALDH1A1LMNAKMT2A

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-2023081840-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION (US) 2023-05-11 — — WO disclosed
Send feedback