SCHEMBL8640471

SCHEMBL8640471

O=[N+]([O-])c1c[c]ccc1NCCO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 6/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.43
KAT2B Q92831 2/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
GALR3 O60755 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 2/20 0.40
HCAR3 P49019 1/20 0.40
GSTM2 P28161 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 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
SCHEMBL6971345 0.80 KMT2A (0.55) ALDH1A1TDP1RAB9AMAPTPKM
SCHEMBL110446 0.77 KAT2B (0.66) ALDH1A1TSHRTDP1RAB9AMAPT
SCHEMBL29390623 0.77 KAT2B (0.66) ALDH1A1TSHRTDP1RAB9AMAPT
SCHEMBL4967103 0.76 HRH3 (0.47) ALDH1A1RAB9AMAPTPKMPOLB
Hydrochloric Acid SCHEMBL27635117 0.76 KAT2B (0.67) ALDH1A1TSHRTDP1RAB9AMAPT
SCHEMBL17599752 0.76 HTT (0.44) ALDH1A1TDP1RAB9AMAPTPKM
SCHEMBL27708810 0.75 KAT2B (0.59) ALDH1A1TSHRTDP1RAB9AMAPT
SCHEMBL6971640 0.75 HCAR3 (0.46) ALDH1A1TDP1RAB9AMAPTKMT2A
SCHEMBL29145825 0.75 KDM4E (0.35) RAB9APRSS1
SCHEMBL27581234 0.74 MAPT (0.41) ALDH1A1TDP1MAPTPOLBHCAR3

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-4353708-A CONTACTING WITH SOLUTIONS OF ACID AND BASIC DYES TO DETECT IONIZATION L'OREAL (FR) 1982-10-12 US claimed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US disclosed