SCHEMBL8245369

SCHEMBL8245369

NCCNc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.49
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RORC P51449 1/20 0.45

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
SCHEMBL10653490 0.88 MEN1 (0.57) KAT2BHSD17B10MEN1KMT2APOLB
SCHEMBL10611862 0.85 HSD17B10 (0.49) KAT2BHSD17B10MEN1KMT2APOLB
SCHEMBL113357 0.84 KMT2A (0.61) HSD17B10MEN1KMT2APOLBPDK1
SCHEMBL8249825 0.81 KAT2B (0.81) KAT2BMEN1KMT2APOLBMAPT
SCHEMBL28182819 0.81 MEN1 (0.56) HSD17B10MEN1KMT2APOLBPDK1
SCHEMBL29375013 0.79 KAT2B (0.58) KAT2BMEN1KMT2APOLBMAPT
SCHEMBL502704 0.79 KAT2B (0.58) KAT2BMEN1KMT2APOLBMAPT
SCHEMBL2468178 0.79 MAPT (0.55) KAT2BMEN1KMT2APOLBMAPT
SCHEMBL9122336 0.78 HSD17B10 (0.60) HSD17B10MEN1KMT2APOLBCA12
SCHEMBL2470932 0.78 KAT2B (0.52) KAT2BMEN1KMT2APOLBMAPT

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
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 — — EP claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 — — WO claimed
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