SCHEMBL31291968

SCHEMBL31291968

COc1cc(OC)cc(N(Cc2ccc(F)cc2)C(=O)c2cnc(C#C[Si](C(C)C)(C(C)C)C(C)C)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MLYCD O95822 1/20 0.37
POLB P06746 1/20 0.35
TSPO P30536 1/20 0.34
APLNR P35414 1/20 0.34
QPCT Q16769 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC2A1 P11166 1/20 0.34

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 0.85 MEN1 (0.43) MAPK14KMT2AMEN1MLYCDPOLB
SCHEMBL31291986 0.82 MEN1 (0.43) MAPK14KMT2AMEN1MLYCDPOLB
SCHEMBL31292007 0.76 TRPM8 (0.36) MAPK14KMT2ANR1H4
SCHEMBL11981319 0.74 MEN1 (0.49) KMT2AMEN1MLYCDTSPO
SCHEMBL31291800 0.72 CYP1B1 (0.32) KMT2AMEN1POLB
SCHEMBL12703035 0.67 LCK (0.46) MAPK14KMT2AMEN1TSPO
SCHEMBL25074071 0.67 RNF4 (0.55) TSPO
SCHEMBL509648 0.66 MEN1 (0.41) KMT2AMEN1MLYCDTSPOAPLNR
SCHEMBL15891882 0.65 MEN1 (0.65) KMT2AMEN1TSPO
SCHEMBL11981302 0.64 MEN1 (0.64) KMT2AMEN1

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