SCHEMBL31704076

SCHEMBL31704076

CCOC(=O)C1C(=O)c2c(Cl)nc(Cl)c(F)c2N(Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPC5 Q9UL62 1/20 0.38
EP300 Q09472 1/20 0.37
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL24984121 0.89 CMA1 (0.38) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL31005842 0.73 CMA1 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL19971631 0.69 MEN1 (0.51) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL796210 0.69 MEN1 (0.51) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1010004 0.69 MEN1 (0.51) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL4285281 0.68 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL6693673 0.68 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL11791704 0.65 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2865162 0.65 CASP3 (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL21328320 0.63 SIGMAR1 (0.46) ALDH1A1MEN1KMT2A

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-2025217319-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-10-16 WO disclosed