SCHEMBL28880416

SCHEMBL28880416

CC(OC(N)=O)c1cc(F)cc(C#N)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SOS1 Q07889 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.30
ALK Q9UM73 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
SCHEMBL28880414 1.00 TRPA1 (0.32) TRPA1ALDH1A1LMNAKDM4EMAPT
SCHEMBL28880354 0.87 SOS1 (0.34) TRPA1ALDH1A1LMNAKDM4EMAPT
SCHEMBL28880355 0.87 SOS1 (0.34) TRPA1ALDH1A1LMNAKDM4EMAPT
SCHEMBL28880408 0.78 TRPM8 (0.31)
SCHEMBL28880406 0.78 TRPM8 (0.31)
SCHEMBL23526350 0.75 SOS1 (0.35) SOS1CYP11B2CYP11B1ALK
SCHEMBL29945727 0.75 SOS1 (0.35) SOS1CYP11B2CYP11B1ALK
SCHEMBL23526352 0.75 SOS1 (0.35) SOS1CYP11B2CYP11B1ALK
SCHEMBL9821165 0.75 CYP11B1 (0.39) SOS1CYP11B2CYP11B1
SCHEMBL22763993 0.74 SOS1 (0.36) SOS1CYP11B2CYP11B1

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-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed