SCHEMBL24865741

SCHEMBL24865741

CNc1cc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)ccc1ON=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 2/20 0.32
EGFR P00533 2/20 0.32
ERBB3 P21860 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
BCL6 P41182 1/20 0.31
MAPK10 P53779 2/20 0.31
MAPK9 P45984 1/20 0.31
MAPK8 P45983 1/20 0.31
NPC1 O15118 1/20 0.31
PABPC1 P11940 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL24865690 0.86 OPRK1 (0.35) CNR2MAPTMEN1LMNAKMT2A
SCHEMBL24865771 0.85 MAPK13 (0.33) CNR2MAPTEGFRKDM4EBCL6
SCHEMBL24865692 0.81 EGFR (0.33) CNR2EGFRERBB3MEN1KMT2A
SCHEMBL24865300 0.80 CNR2 (0.34) CNR2HRH3MAPTKDM4EBCL6
SCHEMBL24865745 0.78 MAPK10 (0.44) EGFRMAPK10MAPK9MAPK8
SCHEMBL24865544 0.78 BCL6 (0.35) CNR2HRH3MAPTEGFRKDM4E
SCHEMBL24865716 0.77 HRH3 (0.35) CNR2HRH3MAPTMEN1LMNA
SCHEMBL24865618 0.75 CNR2 (0.36) CNR2HRH3MAPTMEN1LMNA
SCHEMBL24865620 0.75 DRD2 (0.38) CNR2MAPTMEN1KMT2AKDM4E
SCHEMBL30885112 0.75 CNR2 (0.36) CNR2HRH3MAPTMEN1LMNA

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