SCHEMBL23206607

SCHEMBL23206607

CC(C)(O)C(C)(C)OBc1cc(N)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KIF11 P52732 1/20 0.34
▸ NR1H2 P55055 1/20 0.31
▸ AR P10275 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31

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
SCHEMBL24059364 0.80 PDE10A (0.39) TSHRKDM4EMEN1ALDH1A1CASP1
SCHEMBL22924380 0.79 PDE2A (0.30) —
SCHEMBL29317108 0.75 CES2 (0.39) ARMEN1KMT2A
SCHEMBL21757902 0.73 — —
SCHEMBL8243677 0.71 ALDH1A1 (0.33) MEN1ALDH1A1HPGDCASP1KMT2A
SCHEMBL26523695 0.71 — —
SCHEMBL22237793 0.70 ALDH1A1 (0.38) POLBTSHRKDM4EMEN1ALDH1A1
SCHEMBL12831961 0.69 CYP3A4 (0.35) TSHRKDM4EALDH1A1CASP1HSD17B10
SCHEMBL23712501 0.69 TSHR (0.33) TSHR
SCHEMBL16121560 0.69 — —

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-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 — — WO disclosed
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