SCHEMBL6665102

SCHEMBL6665102

CN(CCO)c1ccc(CC(O)CO)c([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 9/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
AGTR1 P30556 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR3 P49019 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4592723 0.74 ALDH1A1 (0.35) ALDH1A1KDM4ERECQLLMNACYP3A4
SCHEMBL2878100 0.73 GRM8 (0.32) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL3982853 0.70 NSD2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10860894 0.70 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL5481820 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2RECQL
SCHEMBL9771663 0.67 GLA (0.38) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL11335089 0.66 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTSMN1; SMN2RECQL
SCHEMBL7046363 0.66 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL8798720 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2RECQL
SCHEMBL10897023 0.65 ALOX15 (0.39) MAPTLMNAHTTGAA

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-0898954-B1 Composition for dyeing keratin fibres WELLA AG (DE) 2004-09-15 EP claimed
EP-0898954-B1 Composition for dyeing keratin fibres WELLA AG (DE) 2004-09-15 EP disclosed