SCHEMBL24865690

SCHEMBL24865690

COCCNc1cc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)ccc1ON=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.35
OPRM1 P35372 2/20 0.35
NOTUM Q6P988 1/20 0.34
SYK P43405 1/20 0.34
NAMPT P43490 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR6 P46095 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL24865771 0.88 MAPK13 (0.33) SYKMAPTALDH1A1GAACNR2
SCHEMBL24865741 0.86 CNR2 (0.34) MAPTCNR2MEN1LMNAKMT2A
SCHEMBL24865675 0.84 OPRK1 (0.36) OPRK1OPRM1NOTUMSYKNAMPT
SCHEMBL25041475 0.72 GAA (0.43) OPRK1NOTUMSYKNAMPTMAPT
SCHEMBL25191121 0.71 NR1H2 (0.38) OPRK1OPRM1NOTUMSYKMAPT
SCHEMBL24865124 0.70 BCL6 (0.53) OPRM1
SCHEMBL31123223 0.70 BCL6 (0.49)
SCHEMBL31123241 0.70 BCL6 (0.53) OPRM1
SCHEMBL25188644 0.70 KDM4E (0.39) MAPTALDH1A1GAACNR2MEN1
SCHEMBL24865745 0.69 MAPK10 (0.44)

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed