SCHEMBL6004232

SCHEMBL6004232

CCc1ccc(NC(C)O)c([N+](=O)[O-])c1NCCO.Cc1cc(N)c([N+](=O)[O-])cc1NC(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.37
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 2/20 0.32
HCAR3 P49019 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL210588 0.86 RAB9A (0.43) MAPTMEN1KMT2ARAB9AATM
Hydrochloric Acid SCHEMBL4863916 0.85 RAB9A (0.43) MAPTMEN1KMT2ARAB9AATM
SCHEMBL126467 0.78 MAPT (0.54) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL14118361 0.78 RAB9A (0.43) MAPTMEN1KMT2ARAB9AATM
SCHEMBL5912889 0.76 RAB9A (0.49) MAPTMEN1KMT2ARAB9AATM
SCHEMBL29391950 0.75 MAPT (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL111935 0.75 MAPT (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL29452912 0.75 RAB9A (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2033441 0.75 HCAR3 (0.37) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3184571 0.75 RAB9A (0.52) MAPTMEN1KMT2ARAB9AALDH1A1

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
WO-2006087195-A2 DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF L'OREAL (FR) 2006-08-24 WO disclosed