SCHEMBL25904124

SCHEMBL25904124

O=c1ccc2c(Cl)c(-c3ccc(C(F)(F)F)cc3Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.41
KIF11 P52732 7/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.39
AR P10275 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL25904145 0.83 CNR1 (0.40) KDM4EHSD17B10KIF11MAPTCNR1
SCHEMBL25904123 0.82 KDM4E (0.38) KDM4EHSD17B10KIF11MAPTCNR1
SCHEMBL25904471 0.80 PDE3B (0.40) KDM4EKIF11JUNNFKB1NFKB2
SCHEMBL25904390 0.78 CNR1 (0.40) KDM4ECNR1JUNNFKB1NFKB2
SCHEMBL25904479 0.77 PARP10 (0.43) KDM4EKIF11CNR1JUNNFKB1
SCHEMBL18980661 0.75 AR (0.58) KDM4EHSD17B10KIF11CNR1AR
SCHEMBL29722191 0.75 AR (0.58) KDM4EHSD17B10KIF11CNR1AR
SCHEMBL19785361 0.73 PDE2A (0.52) MAPT
SCHEMBL16110649 0.73 AR (0.47) AR
SCHEMBL8872828 0.73 MAPT (0.64) KDM4EHSD17B10KIF11MAPTJUN

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-2023147513-A2 COMPOSITIONS OF AUTOPHAGY MODULATING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-08-03 WO disclosed