SCHEMBL31434844

SCHEMBL31434844

CCOC(=O)c1coc(Cc2cc(-c3ccc(F)cc3)on2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
MAPT P10636 9/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 1/20 0.43
ACR P10323 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL31434772 0.89 PPARA (0.47) TP53MAPTGABRA2GABRB2NPC1
SCHEMBL31434818 0.88 CDC7 (0.44) MAPTACRPOLB
SCHEMBL31434703 0.85 RAB9A (0.45) TP53MAPTMEN1KMT2ANPC1
SCHEMBL31434741 0.83 CDC7 (0.42) TP53MAPTMEN1KMT2ANPC1
SCHEMBL31434754 0.81 GABRA2 (0.45) MAPTMEN1KMT2AGABRA2GABRB2
SCHEMBL1686391 0.81 TP53 (0.62) TP53MAPTMEN1KMT2AGABRA2
SCHEMBL31434723 0.80 GABRA2 (0.44) TP53MAPTGABRA2GABRB2NPC1
SCHEMBL754523 0.80 ALDH1A1 (0.46) MAPTMEN1KMT2AGABRA2GABRB2
SCHEMBL31434685 0.80 MAPT (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31434641 0.78 GABRA2 (0.40) MEN1KMT2AGABRA2GABRB2NPC1

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