SCHEMBL28880355

SCHEMBL28880355

Cc1c(C#N)cc(F)cc1C(C)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.34
ALK Q9UM73 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP11B2 P19099 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HPGD P15428 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
SCHEMBL28880354 1.00 SOS1 (0.34) SOS1ALKLMNAALDH1A1TRPA1
SCHEMBL28880414 0.87 TRPA1 (0.32) SOS1ALKLMNAALDH1A1TRPA1
SCHEMBL28880416 0.87 TRPA1 (0.32) SOS1ALKLMNAALDH1A1TRPA1
SCHEMBL28880344 0.77 L3MBTL1 (0.35) SOS1LMNAALDH1A1
SCHEMBL28880345 0.77 L3MBTL1 (0.35) SOS1LMNAALDH1A1
SCHEMBL23526343 0.76 SOS1 (0.36) SOS1ALKCYP11B2
SCHEMBL29945876 0.76 SOS1 (0.36) SOS1ALKCYP11B2
SCHEMBL23526345 0.76 SOS1 (0.36) SOS1ALKCYP11B2
SCHEMBL25839061 0.75 SOS1 (0.38) SOS1ALKCYP11B2
SCHEMBL23526447 0.74 SOS1 (0.41) SOS1LMNATRPA1KDM4E

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