SCHEMBL8749191

SCHEMBL8749191

O=[N+]([O-])c1c(O)cccc1NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
KAT2B Q92831 2/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 7/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 3/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 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 0.90 KAT2B (0.51) KAT2BTSHRTDP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5063788 0.88 KAT2B (0.54) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL29183738 0.84 TSHR (0.52) GPR35KAT2BTSHRTDP1ALDH1A1
SCHEMBL9367239 0.83 KAT2B (0.52) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL125386 0.83 KAT2B (0.68) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL29393615 0.83 KAT2B (0.68) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL9383147 0.83 KAT2B (0.49) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL10480286 0.83 KAT2B (0.46) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL18340832 0.83 KAT2B (0.46) KAT2BTSHRTDP1ALDH1A1MAPT
SCHEMBL9245044 0.82 KAT2B (0.52) GPR35KAT2BMAPTPKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP disclosed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US disclosed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP disclosed