SCHEMBL24865611

SCHEMBL24865611

CNc1ccc(Nc2ccc(N3CCC(OC)(C(F)(F)F)CC3)cc2)cc1OCC=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.33
LRRK2 Q5S007 2/20 0.32
CNR2 P34972 1/20 0.32
ALK Q9UM73 5/20 0.31
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
NPC1 O15118 1/20 0.30
PABPC1 P11940 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGFR P00533 1/20 0.30
ERBB3 P21860 1/20 0.30
DYRK3 O43781 1/20 0.30
PIM1 P11309 1/20 0.30
CNR1 P21554 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
PTK2 Q05397 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
SCHEMBL24865762 0.84 NPC1 (0.33) BRD4LRRK2CNR2MAPK9MAPK10
SCHEMBL24865544 0.82 BCL6 (0.35) BRD4LRRK2CNR2ALKEGFR
SCHEMBL24865692 0.79 EGFR (0.33) BRD4CNR2MAPK9MAPK10NPC1
SCHEMBL24865760 0.72 SMN1; SMN2 (0.43) BRD4
SCHEMBL24865829 0.71 CSF1R (0.35)
SCHEMBL24865793 0.69 ALDH1A1 (0.41)
SCHEMBL31123346 0.69 ALDH1A1 (0.35) CNR2
SCHEMBL24865689 0.69 ALDH1A1 (0.35) CNR2
SCHEMBL24865754 0.69 LRRK2 (0.32) LRRK2
SCHEMBL31123292 0.69 KIF11 (0.53)

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