SCHEMBL24865658

SCHEMBL24865658

CNc1cc(Nc2ccc(N3CCC(F)CC3)cc2)ccc1N(C)N=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 5/20 0.32
MAPK1 P28482 4/20 0.32
TP53 P04637 1/20 0.32
JAK2 O60674 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK10 P53779 1/20 0.32
BRD4 O60885 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
NR4A1 P22736 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL24865300 0.89 CNR2 (0.34) CNR2MAPTJAK2BRD4KDM4E
SCHEMBL24865643 0.86 PDGFRB (0.37) SYKMAPTMAPK1MEN1KMT2A
SCHEMBL24865791 0.81 HRH3 (0.35) SYKCNR2JAK2SMN1; SMN2BRD4
SCHEMBL24865770 0.76 CNR2 (0.33) CNR2JAK2HRH3
SCHEMBL24865467 0.74 ALDH1A1 (0.33) MAPTMAPK1TP53SMN1; SMN2MEN1
SCHEMBL24865637 0.74 ALDH1A1 (0.33) MAPTMAPK1TP53SMN1; SMN2MEN1
SCHEMBL24865739 0.74 ENPP2 (0.40) MAPTMEN1KMT2ATDP1GAA
SCHEMBL24865601 0.72 MEN1 (0.31) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL24865708 0.72 MEN1 (0.33) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL24865688 0.72 EGFR (0.47) MAPTMAPK1TP53SMN1; SMN2MEN1

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