SCHEMBL31624902

SCHEMBL31624902

COc1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.36
RAF1 P04049 4/20 0.33
BRAF P15056 4/20 0.33
AXL P30530 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
METAP2 P50579 2/20 0.33
CYP1A2 P05177 1/20 0.33
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAP4K1 Q92918 1/20 0.32
DRD1 P21728 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL16637189 0.81 IDO1 (0.38) IDO1AXLMETAP2TRPA1
SCHEMBL21542750 0.80 IDO1 (0.37) IDO1AXLMETAP2TRPA1
SCHEMBL27188140 0.78 BRD4 (0.39) BRD4IDO1AXLMETAP2KDM4E
SCHEMBL29712207 0.78 BRD4 (0.39) BRD4IDO1AXLMETAP2KDM4E
SCHEMBL24373309 0.78 ESR2 (0.37) IDO1MAP4K1TRPA1
SCHEMBL14663113 0.78 TRPA1 (0.37) IDO1AXLMETAP2TRPA1
SCHEMBL29478864 0.78 ESR2 (0.37) IDO1MAP4K1TRPA1
SCHEMBL18552652 0.77 MTNR1A (0.39) BRD4RET
SCHEMBL28782096 0.77 AXL (0.50) IDO1AXLMETAP2CYP1A2TRPA1
SCHEMBL20315160 0.76 IDO1 (0.37) IDO1AXLMAP4K1TRPA1

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-2025129135-A2 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed