SCHEMBL7785512

SCHEMBL7785512

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP3 P15309 2/20 0.36
APP P05067 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 3/20 0.35
VCAM1 P19320 1/20 0.35
PKM P14618 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
SCHEMBL7780620 0.90 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785104 0.88 GAA (0.46) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785523 0.88 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7787701 0.86 MAPK1 (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7780352 0.86 MAPK1 (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7787867 0.86 MAPK1 (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785020 0.82 GAA (0.40) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785657 0.81 SMN1; SMN2 (0.37) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785707 0.80 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL7785072 0.80 ALDH1A1 (0.38) ALDH1A1MAPTLMNATP53MEN1

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 2 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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed