SCHEMBL7780743

SCHEMBL7780743

COc1ccc(C(NCCc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
PKM P14618 1/20 0.52
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7785132 0.94 SIGMAR1 (0.48) KMT2AALDH1A1MEN1PKMSMN1; SMN2
SCHEMBL7780402 0.90 GRM8 (0.55) KMT2AALDH1A1MEN1PKMGRM8
SCHEMBL7780406 0.90 GRM8 (0.55) KMT2AALDH1A1MEN1PKMGRM8
SCHEMBL7789039 0.90 KMT2A (0.46) KMT2AALDH1A1MEN1PKMSMN1; SMN2
SCHEMBL7785650 0.88 KMT2A (0.50) KMT2AALDH1A1MEN1PKMSMN1; SMN2
SCHEMBL7787446 0.85 MAPT (0.52) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL27530328 0.85 GRM8 (0.50) ALDH1A1GRM8GRM4SMN1; SMN2HTT
SCHEMBL27530411 0.85 GRM8 (0.50) KMT2AALDH1A1MEN1GRM8GRM4
SCHEMBL27530331 0.85 GRM8 (0.50) ALDH1A1GRM8GRM4SMN1; SMN2HTT
SCHEMBL27530416 0.85 GRM8 (0.50) KMT2AALDH1A1MEN1GRM8GRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed