SCHEMBL30729437

SCHEMBL30729437

Nc1ccc([N+](=O)[O-])cc1OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 5/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 2/20 0.44
DRD4 P21917 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.42
CYP19A1 P11511 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 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
SCHEMBL20761098 0.90 TDP1 (0.54) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL20786636 0.84 PRMT5 (0.49) PRMT5WDR77ALDH1A1CYP3A4TSHR
SCHEMBL11488932 0.84 PRMT5 (0.49) PRMT5WDR77ALDH1A1CYP3A4DRD4
SCHEMBL19461879 0.83 DRD4 (0.60) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL19462473 0.83 DRD4 (0.60) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL1531274 0.83 DRD4 (0.54) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL1531394 0.83 DRD4 (0.54) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL3701823 0.83 MAPT (0.51) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL30121999 0.83 MAPT (0.51) HTTPRMT5WDR77ALDH1A1TDP1
SCHEMBL1011976 0.82 PRMT5 (0.47) HTTPRMT5WDR77ALDH1A1CYP3A4

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
CN-117460709-A Compound useful as hair dye 新加坡国立大学 2024-01-26 CN disclosed