SCHEMBL6141590

SCHEMBL6141590

Nc1ccc(NCc2ccccc2N)cc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NOX4 Q9NPH5 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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 SCHEMBL2981450 0.98 MAPT (0.40) MAPTNOX4MEN1KMT2AHPGD
SCHEMBL6141849 0.85 MEN1 (0.53) MAPTMEN1KMT2AHPGDATM
SCHEMBL6739725 0.84 ADRA2B (0.37) MAPTNOX4EGFR
Hydrochloric Acid SCHEMBL2989886 0.84 MEN1 (0.52) MAPTMEN1KMT2AHPGDATM
Hydrochloric Acid SCHEMBL6271307 0.83 ADRA2B (0.36) MAPTMEN1KMT2AEGFR
SCHEMBL6141858 0.80 ARG1 (0.39) MAPTMEN1KMT2AHPGDL3MBTL1
SCHEMBL6141816 0.80 ARG1 (0.36) MAPTMEN1KMT2AHPGDGAA
SCHEMBL6141584 0.80 EGFR (0.45) MAPTNOX4EGFRCA12CA1
SCHEMBL6141925 0.80 EGFR (0.60) MAPTNOX4EGFR
SCHEMBL6141550 0.80 MAOA (0.39) FFAR1FFAR4HDAC1

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