SCHEMBL31291986

SCHEMBL31291986

COc1cc(OC)cc(N(Cc2ccc(F)cc2)C(=O)c2cnc(Br)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSPO P30536 1/20 0.40
MAPK14 Q16539 4/20 0.39
SLC2A1 P11166 1/20 0.38
POLB P06746 1/20 0.38
MLYCD O95822 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC2A4 P14672 1/20 0.38
SLC2A8 Q9NY64 1/20 0.38
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
QPCT Q16769 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL31291881 0.87 MEN1 (0.43) MEN1KMT2ATSPOMAPK14SLC2A1
SCHEMBL509648 0.82 MEN1 (0.41) MEN1KMT2ATSPOSLC2A1MLYCD
SCHEMBL31291968 0.82 MAPK14 (0.38) MEN1KMT2ATSPOMAPK14SLC2A1
SCHEMBL11981319 0.81 MEN1 (0.49) MEN1KMT2ATSPOMLYCDLMNA
SCHEMBL509223 0.80 BCL2A1 (0.56) MEN1KMT2AMAPT
SCHEMBL25074071 0.73 RNF4 (0.55) TSPOLMNAALDH1A1NPSR1PTGDR2
SCHEMBL31291991 0.71 TRPM8 (0.43) TSPOLMNAALDH1A1NPSR1PTGDR2
SCHEMBL5857683 0.71 SMN1; SMN2 (0.44) MEN1KMT2AMAPK14MLYCDLMNA
SCHEMBL12703035 0.71 LCK (0.46) MEN1KMT2ATSPOMAPK14LMNA
SCHEMBL15891882 0.70 MEN1 (0.65) MEN1KMT2ATSPOLMNAALDH1A1

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-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed