SCHEMBL24865667

SCHEMBL24865667

CN(C)c1cc(O)c(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1OCC=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
BCL6 P41182 1/20 0.33
CHRM4 P08173 2/20 0.33
F10 P00742 1/20 0.33
JAK2 O60674 3/20 0.32
BRD4 O60885 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
LRRK2 Q5S007 3/20 0.31
MAPK8 P45983 1/20 0.31
ACACB O00763 1/20 0.31
PLK1 P53350 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
SCHEMBL24865707 0.90 JAK2 (0.32) ALKBCL6F10JAK2BRD4
SCHEMBL24865544 0.79 BCL6 (0.35) ALKBCL6F10JAK2BRD4
SCHEMBL24865215 0.79 PTK2 (0.33) ALKBCL6CHRM4F10JAK2
SCHEMBL24864955 0.79 KDM4E (0.36) ALKBCL6JAK2BRD4KDM4E
SCHEMBL24865645 0.77 FGFR3 (0.34) BCL6
SCHEMBL24865437 0.76 BCL6 (0.38) BCL6KDM4EMAPTACACB
SCHEMBL24865761 0.74 JAK2 (0.33) BCL6JAK2KDM4EMAPTLRRK2
SCHEMBL24865335 0.73 KIT (0.35) BCL6KDM4EMAPTACACB
SCHEMBL24865469 0.70 MAPT (0.34) BCL6JAK2KDM4EMAPT
SCHEMBL30336317 0.67 HTR1A (0.37) F10JAK2LRRK2

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