Phenol

Phenol

SCHEMBL28187129

O=[N+]([O-])c1ccccc1NCCO.Oc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.57
MAPT P10636 6/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 4/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
PKM P14618 2/20 0.55
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
TSHR P16473 1/20 0.50
CASP7 P55210 1/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL29390623 0.92 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL110446 0.92 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27635117 0.91 KAT2B (0.67) KAT2BMAPTNPC1RAB9ASMN1; SMN2
Diethanolamine SCHEMBL198856 0.88 KAT2B (0.60) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6001854 0.87 TDP1 (0.56) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27708810 0.86 KAT2B (0.59) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8647822 0.84 KAT2B (0.60) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5922386 0.83 KAT2B (0.71) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6847474 0.82 MAPT (0.67) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6198859 0.82 KAT2B (0.80) KAT2BMAPTNPC1RAB9ASMN1; SMN2

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
CN-107428709-A Cation direct dye 巴斯夫欧洲公司 2017-12-01 CN disclosed