SCHEMBL2949580

SCHEMBL2949580

Nc1ccc(Oc2ccccc2)nc1NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
BCAT2 O15382 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
POLB P06746 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAD52 P43351 2/20 0.39
MITF O75030 1/20 0.39
TTR P02766 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
RECQL P46063 2/20 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
SCHEMBL4939285 0.81 MAPT (0.51) KDM4EMAPK1BCAT2HTTSMN1; SMN2
SCHEMBL94186 0.79 TNF (0.43) KDM4EMAPK1TAAR1POLBHTT
SCHEMBL29634740 0.79 TNF (0.43) KDM4EMAPK1TAAR1POLBHTT
Hydrochloric Acid SCHEMBL7591939 0.78 TNF (0.43) KDM4EMAPK1TAAR1POLBHTT
SCHEMBL2944371 0.77 NUDT1 (0.53) MAPK1BCAT2HTTMAP4K4ALDH1A1
SCHEMBL6925243 0.71 TNF (0.40) KDM4EMAPK1TAAR1POLBHTT
SCHEMBL4052723 0.71 MAP4K4 (0.54) MAPK1BCAT2HTTMAP4K4ALDH1A1
SCHEMBL6669525 0.69 TNF (0.36) KDM4EMAPK1TAAR1POLBHTT
SCHEMBL11580569 0.68 PKM (0.39) MAPK1HTTLMNAGAAHPGD
SCHEMBL18957388 0.68 BCAT2 (0.50) KDM4EMAPK1BCAT2HTTMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP claimed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP claimed
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP disclosed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP disclosed