SCHEMBL9681150

SCHEMBL9681150

COCCNc1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
HTT P42858 4/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 6/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.53
HCAR3 P49019 1/20 0.52
KCNMA1 Q12791 1/20 0.52
MEN1 O00255 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 1/20 0.51

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
SCHEMBL56823 0.86 HTT (0.58) LMNAHTTPKMTSHRTDP1
SCHEMBL111537 0.86 TSHR (0.73) LMNAHTTPKMTSHRTDP1
SCHEMBL29390085 0.86 TSHR (0.73) LMNAHTTPKMTSHRTDP1
SCHEMBL6574005 0.86 HTT (0.58) LMNAHTTPKMTSHRTDP1
SCHEMBL27510433 0.84 HTT (0.57) LMNAHTTPKMTSHRTDP1
SCHEMBL2716434 0.84 LMNA (0.70) LMNAHTTPKMTDP1ALDH1A1
SCHEMBL6559600 0.84 ALDH1A1 (0.67) LMNAHTTTSHRTDP1ALDH1A1
SCHEMBL21280225 0.84 HTT (0.62) LMNAHTTPKMALDH1A1MAPT
SCHEMBL3125877 0.83 TSHR (0.55) LMNAHTTTSHRTDP1ALDH1A1
SCHEMBL10139198 0.83 MAPT (0.62) LMNAHTTTSHRTDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167669-A Hair dyes L'OREAL (FR) 1992-12-01 US disclosed
US-5096455-A PROCESS FOR DYEING KERATINOUS FIBRES EMPLOYING AN INDOLE DYE AND AT LEAST ONE PARA-PHENYLENEDIAMINE CONTAINING A SECONDARY AMINO GROUP ABSENT AN OXIDANT OTHER THAN AIR L'OREAL (FR) 1992-03-17 US disclosed