SCHEMBL9367239

SCHEMBL9367239

CNc1cccc(NCCO)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.52
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 6/20 0.43
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.39

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
SCHEMBL4619073 0.92 KAT2B (0.51) KAT2BTSHRTDP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL5063788 0.90 KAT2B (0.54) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL125386 0.84 KAT2B (0.68) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL29393615 0.84 KAT2B (0.68) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL9372411 0.83 RAB9A (0.53) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL28271657 0.83 KAT2B (0.48) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL10480634 0.83 KAT2B (0.48) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL29183738 0.83 TSHR (0.52) KAT2BTSHRTDP1ALDH1A1KMT2A
SCHEMBL8749191 0.83 GPR35 (0.50) KAT2BTSHRTDP1ALDH1A1POLB
SCHEMBL9771638 0.82 KAT2B (0.56) KAT2BTSHRTDP1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303878-B1 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents WELLA AG (DE) 1994-07-13 EP claimed