SCHEMBL26535186

SCHEMBL26535186

CC(C)(C)OC(=O)NCCc1cc(S(C)(=O)=O)nc2c(Cl)c(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)c(C#N)c34)c3c(c12)COC3

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL30776456 1.00 RORC (0.31) RORCALDH1A1TP53GLAMAPT
SCHEMBL27084115 0.96 RORC (0.30) RORC
SCHEMBL26533737 0.91 KDM4E (0.30) ALDH1A1HPGDHTT
SCHEMBL30587288 0.91 KDM4E (0.30) ALDH1A1HPGDHTT
SCHEMBL26114057 0.87
SCHEMBL26536557 0.84 KRAS (0.39)
SCHEMBL30776339 0.83 MTOR (0.31) RORC
SCHEMBL26535184 0.83 MTOR (0.31) RORC
SCHEMBL27084089 0.83 RORC (0.31) RORC
SCHEMBL31242606 0.81 LMNA (0.31) RORCALDH1A1HPGD

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-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed