SCHEMBL25564367

SCHEMBL25564367

OCc1cc(F)c(Br)c(OC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
EPHX2 P34913 1/20 0.34
EPAS1 Q99814 1/20 0.34
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
KIF11 P52732 1/20 0.33
PDE2A O00408 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKR1B1 P15121 1/20 0.31
P2RX7 Q99572 2/20 0.31
NOTUM Q6P988 1/20 0.30
KCNN4 O15554 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
SCHEMBL855473 0.77 ACHE (0.42) CYP4F2CYP4A11KIF11TSHRAKR1B1
SCHEMBL11029542 0.75 CYP4F2 (0.56) CYP4F2CYP4A11SIGMAR1EPHX2KCNH2
SCHEMBL2447332 0.75 EPHX2 (0.50) CYP4F2CYP4A11EPHX2KIF11PDE2A
SCHEMBL2239493 0.74 CYP4F2 (0.39) CYP4F2CYP4A11SIGMAR1EPAS1KCNH2
SCHEMBL11032847 0.72 NOTUM (0.38) CYP4F2CYP4A11EPHX2NOTUM
SCHEMBL2241890 0.71 MBOAT4 (0.43) CYP4F2CYP4A11EPHX2EPAS1KIF11
SCHEMBL25564368 0.71 KAT7 (0.39)
SCHEMBL16961827 0.71 CYP4F2 (0.42) CYP4F2CYP4A11SIGMAR1EPHX2KCNH2
SCHEMBL25367417 0.70 NOTUM (0.39) NOTUMKCNN4
SCHEMBL30694799 0.70 NOTUM (0.39) NOTUMKCNN4

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-2023088233-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-25 WO disclosed