SCHEMBL24865618

SCHEMBL24865618

CNc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
BCL6 P41182 1/20 0.33
JAK2 O60674 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTK2 Q05397 2/20 0.31
SYK P43405 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
NR4A1 P22736 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31
EPHX2 P34913 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
SCHEMBL30885112 1.00 CNR2 (0.36) CNR2HRH3BCL6JAK2SMN1; SMN2
SCHEMBL25194208 0.84 CNR2 (0.37) CNR2HRH3BCL6SMN1; SMN2PTK2
SCHEMBL25183899 0.83 CNR2 (0.37) CNR2BCL6PTK2KDM4EMAPT
SCHEMBL25207364 0.82 MAPT (0.37) CNR2BCL6KDM4EMAPTNR4A1
SCHEMBL25188644 0.81 KDM4E (0.39) CNR2KDM4EMAPTALDH1A1MEN1
SCHEMBL25189837 0.81 CNR2 (0.34) CNR2BCL6JAK2PTK2ALDH1A1
SCHEMBL25191121 0.81 NR1H2 (0.38) CNR2BCL6JAK2SMN1; SMN2PTK2
SCHEMBL25215758 0.81 ADRA2A (0.33) HRH3SMN1; SMN2PTK2KDM4EMAPT
SCHEMBL25188007 0.80 L3MBTL1 (0.32) SMN1; SMN2PTK2KDM4EMAPTALDH1A1
SCHEMBL30336093 0.80 DRD2 (0.38) CNR2JAK2SMN1; SMN2KDM4EMAPT

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