SCHEMBL30954803

SCHEMBL30954803

OCc1c(O)cncc1CNc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALOX12 P18054 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
MPI P34949 1/20 0.45
MEN1 O00255 4/20 0.43
POLB P06746 1/20 0.43
PLEC Q15149 1/20 0.43
MAOB P27338 2/20 0.39
EGFR P00533 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
RAB9A P51151 4/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL30954801 0.76 PTGS1 (0.39) POLB
SCHEMBL30954800 0.73 DAO (0.39) MAPTALDH1A1MAOBRAB9ANPC1
SCHEMBL1503105 0.73 P4HTM (0.46) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL1503231 0.71 ALDH1A1 (0.42) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL12444364 0.71 ALOX5 (0.40) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL1503279 0.70 L3MBTL1 (0.36) L3MBTL1KDM4E
SCHEMBL27616587 0.69 MAPT (0.69) MAPTALDH1A1KMT2AL3MBTL1LMNA
Acetic Acid SCHEMBL27812972 0.68 MAOB (0.43) MAPTALDH1A1KMT2ALMNAKDM4E
Acetic Acid SCHEMBL27833084 0.66 GRIN1 (0.40) MAPTALDH1A1KDM4ETHRBGAA
SCHEMBL7157507 0.65 EGFR (0.56) MAPTALDH1A1KMT2AL3MBTL1LMNA

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
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP claimed