SCHEMBL6141577

SCHEMBL6141577

Cc1cc(NCc2cc(N)cc(N)c2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
ALOX15 P16050 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 4/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44

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
Hydrochloric Acid SCHEMBL2983000 0.98 MAPT (0.44) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL7560149 0.86 MAPT (0.51) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL2991374 0.83 HTT (0.58) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL6260266 0.80 ALDH1A1 (0.63) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL13829230 0.80 KCNQ3 (0.54) MAPTNPC1ALDH1A1TDP1ALOX15
Hydrochloric Acid SCHEMBL2990361 0.79 ALDH1A1 (0.61) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL6267263 0.78 ALDH1A1 (0.44) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL6297594 0.78 HPGD (0.52) MAPTNPC1ALDH1A1TDP1ALOX15
SCHEMBL2126641 0.77 CYP3A4 (0.53) MAPTALDH1A1TDP1ALOX15GAA
SCHEMBL5690016 0.77 MAOA (0.46) MAPTALDH1A1ALOX15KDM4EGAA

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
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed