SCHEMBL31434801

SCHEMBL31434801

O/N=C(\Cl)c1cnn(C2CCCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
ACHE P22303 3/20 0.35
MCL1 Q07820 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
FGFR1 P11362 2/20 0.32
FLT3 P36888 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
DDR2 Q16832 1/20 0.31
SYK P43405 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
SCHEMBL5139638 0.79 ACHE (0.43) KDM5BACHEMCL1CYP4F2CYP4A11
Fluoride SCHEMBL14796503 0.79 ACHE (0.43) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL29218328 0.78 ACHE (0.43) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL6519027 0.78 ACHE (0.46) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL30320777 0.77 ACHE (0.52) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL1128591 0.75 KDM5B (0.40) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL17714250 0.75 CYP4F2 (0.43) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL28769997 0.75 ACHE (0.40) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL17018590 0.74 KDM5B (0.36) KDM5BACHEMCL1CYP4F2CYP4A11
SCHEMBL17021769 0.74 KDM5B (0.36) KDM5BACHEMCL1CYP4F2CYP4A11

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed