SCHEMBL31456952

SCHEMBL31456952

COc1cccc(Nc2cc(F)cc(CN)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MTNR1B P49286 4/20 0.45
MTNR1A P48039 3/20 0.45
MAOB P27338 4/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
SYK P43405 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27375376 1.00 MEN1 (0.47) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL31457052 0.84 MAPT (0.52) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL27375399 0.84 MAPT (0.52) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL31457034 0.79 HSD17B10 (0.43) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL27374802 0.79 HSD17B10 (0.43) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL27375343 0.78 MAPT (0.50) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL31456955 0.78 MAPT (0.50) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL31456969 0.77 LOXL2 (0.48) MEN1KMT2AMAPTSMN1; SMN2MAOB
SCHEMBL7844969 0.77 MTNR1B (0.64) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL27374959 0.77 LOXL2 (0.48) MEN1KMT2AMAPTSMN1; SMN2MAOB

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
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed