SCHEMBL8901131

SCHEMBL8901131

COC(=O)c1ccc(OC)c(-c2nc(-c3ccccc3)no2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
HSD17B10 Q99714 6/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
TP53 P04637 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 3/20 0.54
TPH1 P17752 2/20 0.53
SMPD1 P17405 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53

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
SCHEMBL8898716 0.90 NPC1 (0.60) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8889557 0.89 MAPT (0.65) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8900709 0.88 MAPT (0.63) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8890122 0.84 NPC1 (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1708876 0.82 NPC1 (0.69) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL35823 0.81 PTGS2 (0.58) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL19131023 0.81 NPC1 (0.70) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8901510 0.81 TPH1 (0.58) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3674243 0.80 MAPT (0.69) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8900612 0.80 PDE4D (0.60) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed