SCHEMBL6960847

SCHEMBL6960847

Cc1ccc(Oc2[c]cc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.45
CCR6 P51684 1/20 0.45
HSPB1 P04792 1/20 0.44
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 2/20 0.39
TBXA2R P21731 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MYOC Q99972 1/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL1030905 0.88 APP (0.48) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL6972654 0.84 LMNA (0.44) HSD17B10MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL5387739 0.84 LMNA (0.44) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL8695353 0.79 HSD17B10 (0.75) ACHEHSD17B10MAPTHTTALDH1A1
SCHEMBL192974 0.76 HTT (0.44) ACHEHSD17B10MAPTHTTALDH1A1
SCHEMBL6960838 0.76 SMN1; SMN2 (0.43) ACHEHSD17B10MAPTHTTALDH1A1
SCHEMBL8715421 0.76 ALDH1A1 (0.40) ACHEHSD17B10ALDH1A1LMNAHSPB1
SCHEMBL10593836 0.73 ACHE (0.52) ACHEMAPTALDH1A1NPSR1KMT2A
SCHEMBL4135373 0.72 PTGS2 (0.47) ACHEHSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL16950956 0.72 MAPT (0.41) ACHEHSD17B10MAPTHTTALDH1A1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed