SCHEMBL10480286

SCHEMBL10480286

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 7/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.41
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL29064877 0.91 KAT2B (0.50) KAT2BALDH1A1TSHRMAPTKMT2A
SCHEMBL29580949 0.91 KAT2B (0.50) KAT2BALDH1A1TSHRMAPTKMT2A
SCHEMBL4619073 0.89 KAT2B (0.51) KAT2BALDH1A1TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL5063788 0.87 KAT2B (0.54) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL9036783 0.84 ALDH1A1 (0.48) KAT2BALDH1A1TDP1MAPTBLM
SCHEMBL8749191 0.83 GPR35 (0.50) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL29183738 0.83 TSHR (0.52) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL9367239 0.81 KAT2B (0.52) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL125386 0.81 KAT2B (0.68) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL18340832 0.81 KAT2B (0.46) KAT2BALDH1A1TSHRTDP1MAPT

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
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 US claimed
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 US disclosed