SCHEMBL5694582

SCHEMBL5694582

O=C(CO)Nc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
TSHR P16473 1/20 0.68
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
Hc Blue No. 1 SCHEMBL29683680 0.82 ALDH1A1 (0.73) ALDH1A1TDP1TSHRMAPTNPSR1
Hc Blue No. 1 SCHEMBL2467623 0.82 ALDH1A1 (0.73) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL16210923 0.82 ALDH1A1 (0.73) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL109266 0.81 ALDH1A1 (1.00) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL29829407 0.81 ALDH1A1 (1.00) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL198602 0.79 ALDH1A1 (0.85) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL30808004 0.79 ALDH1A1 (0.85) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL8893132 0.78 ALDH1A1 (0.74) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL111343 0.78 ALDH1A1 (0.83) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL109353 0.78 TDP1 (0.67) ALDH1A1TDP1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660022-B1 AGENT FOR COLOURING KERATIN FIBRES HFC PRESTIGE INT HOLDING SWITZERLAND S A R L (CH) 2017-04-12 EP disclosed
EP-1660022-A2 AGENT FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2006-05-31 EP disclosed
WO-2005032502-A2 AGENT FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2005-04-14 WO disclosed