SCHEMBL4420508

SCHEMBL4420508

Nc1cccc(NCc2cccc(O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.56
PKM P14618 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
BLM P54132 2/20 0.54
LMNA P02545 1/20 0.54
PMP22 Q01453 1/20 0.54
ALDH1A1 P00352 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
Hydrochloric Acid SCHEMBL455675 0.98 KMT2A (0.57) HIF1APKMCYP1A2CYP3A4ALOX15
SCHEMBL11510145 0.88 HIF1A (0.64) HIF1APKMCYP1A2CYP3A4ALOX15
SCHEMBL11248387 0.88 MAOA (0.48) KMT2AKDM4EMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL11247111 0.86 MAOA (0.50) KMT2AKDM4EMAPTLMNATDP1
Hydrochloric Acid SCHEMBL11247122 0.86 MAOA (0.50) KMT2AKDM4EMAPTLMNATDP1
SCHEMBL2940046 0.85 HIF1A (0.61) HIF1APKMCYP1A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2987245 0.83 HIF1A (0.60) HIF1APKMCYP1A2CYP3A4ALOX15
SCHEMBL4699374 0.82 HIF1A (0.77) HIF1APKMCYP1A2CYP3A4ALOX15
SCHEMBL29922555 0.82 KDM4E (0.57) KMT2AKDM4EMAPTLMNACA12
SCHEMBL5157913 0.82 KDM4E (0.57) KMT2AKDM4EMAPTLMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
CN-103622842-A Delivery particles PROCTER & GAMBLE 2014-03-12 CN disclosed
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN disclosed
CN-102824280-A Oxidizing hair colourant compositions PROCTER & GAMBLE 2012-12-19 CN disclosed
CN-102695492-A Thickened hair colourant and bleaching compositions PROCTER & GAMBLE 2012-09-26 CN disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed