SCHEMBL29392855

SCHEMBL29392855

COc1ccc([N+](=O)[O-])c(NCCN)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.59
MAPT P10636 8/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALPG P10696 1/20 0.55
HTR6 P50406 2/20 0.51
ALDH1A1 P00352 1/20 0.51
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL111539 1.00 KAT2B (0.59) KAT2BMAPTLMNASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL141377 0.99 KAT2B (0.61) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL2472513 0.89 KAT2B (0.60) KAT2BMAPTLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10781769 0.87 KAT2B (0.61) KAT2BMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL20420165 0.87 MAPT (0.58) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL10580319 0.86 MAPT (0.58) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL762553 0.86 SMN1; SMN2 (0.60) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL10576590 0.86 LMNA (0.68) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL739095 0.84 MAPT (0.64) KAT2BMAPTLMNASMN1; SMN2TDP1
SCHEMBL16211097 0.84 MAPT (0.57) KAT2BMAPTLMNASMN1; SMN2TDP1

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
CN-109311879-B Symmetrical/asymmetrical azomethine-type direct dyes comprising at least one pyrazolopyridine unit, method for dyeing 莱雅公司 2023-01-06 CN disclosed
CN-109310607-B Use of azomethine-type compounds bearing quinoline derivative units for dyeing keratin fibres 莱雅公司 2022-04-15 CN disclosed