SCHEMBL9846252

SCHEMBL9846252

C=C(C)c1cc(/C=C/c2nc3ccccc3o2)c(OCc2ccccc2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ATP4A P20648 10/20 0.37
ATP4B P51164 10/20 0.37
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 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
SCHEMBL9846253 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9846147 0.88 MEN1 (0.41) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9846142 0.88 MEN1 (0.41) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9336639 0.83 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9338293 0.83 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9585229 0.83 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9585232 0.83 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9846231 0.82 L3MBTL1 (0.41) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846237 0.82 L3MBTL1 (0.41) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846140 0.81 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed