SCHEMBL8837286

SCHEMBL8837286

CSc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MCL1 Q07820 1/20 0.57
SRC P12931 1/20 0.48
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL718255 0.81 MAPT (0.74) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1028694 0.77 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL126110 0.75 MAPT (0.61) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL9471773 0.74 MAPT (0.65) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL9471765 0.74 MAPT (0.65) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL880161 0.74 SRC (0.60) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL789918 0.73 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL4126863 0.73 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL20505550 0.73 MAPT (0.68) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL123842 0.73 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616809-A COUPLER, USED TO DYE KERATINOUS FIBERS L'OREAL (FR) 1997-04-01 US disclosed
EP-0591060-B1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation OREAL (FR) 1996-12-18 EP disclosed
US-5451236-A Hair dyes L'OREAL (FR) 1995-09-19 US disclosed
EP-0591060-A1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation L'OREAL (FR) 1994-04-06 EP disclosed
US-4171361-A HYPOTENSIVE ELI LILLY AND COMPANY (US) 1979-10-16 US disclosed