SCHEMBL7789422

SCHEMBL7789422

COc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL7785523 0.89 MAPT (0.40) ABCB1ABCC1ALDH1A1MAPTMAPK1
SCHEMBL7780620 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2HPGD
SCHEMBL7785272 0.84 KMT2A (0.41) ABCB1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL7784922 0.84 ALDH1A1 (0.36) ABCB1ABCC1ALDH1A1MAPTMAPK1
SCHEMBL7785657 0.83 SMN1; SMN2 (0.37) ABCB1ABCC1ALDH1A1MAPTMAPK1
SCHEMBL7785504 0.79 MEN1 (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL7780564 0.79 MAPK1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL7785152 0.79 MAPK1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL7785512 0.76 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2HPGD
SCHEMBL7795456 0.76 CXCR2 (0.35) ABCB1ABCC1ALDH1A1LMNAGAA

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