SCHEMBL8899801

SCHEMBL8899801

COc1ccc(C=O)cc1OCc1nc(-c2ccccn2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 15/20 0.59
NPC1 O15118 13/20 0.59
RAB9A P51151 12/20 0.59
MAPT P10636 9/20 0.59
TP53 P04637 8/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 4/20 0.59
NPSR1 Q6W5P4 3/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 5/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 3/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56

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
SCHEMBL8890246 0.83 POLB (0.61) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8891089 0.81 MAPT (0.68) SMN1; SMN2MAPTTP53HTTALDH1A1
SCHEMBL8901242 0.80 LMNA (0.60) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8898815 0.80 TSHR (0.59) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL15474905 0.77 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL8890668 0.74 PDE4D (0.57) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1224760 0.72 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL4025388 0.72 ALDH1A1 (0.51) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3925449 0.72 NPSR1 (0.54) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4109085 0.72 NPC1 (0.80) SMN1; SMN2NPC1RAB9AMAPTTP53

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