SCHEMBL5044239

SCHEMBL5044239

Nc1cccc(NCc2ccccc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.45
DDX3X O00571 1/20 0.42
EGFR P00533 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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 SCHEMBL455092 0.98 MAPT (0.47) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL2473372 0.86 MAPT (0.44) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6339193 0.86 MAPT (0.44) MAPTMEN1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL2478272 0.84 MAPT (0.43) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4305242 0.83 MAPT (0.67) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7519446 0.83 MAPT (0.50) MAPTMEN1KMT2AHPGDEGFR
SCHEMBL8236896 0.83 MAPT (0.58) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL563869 0.83 HDAC3 (0.47) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL31438448 0.83 HDAC3 (0.47) MAPTMEN1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL1514990 0.81 MAPT (0.44) MAPTMEN1KMT2AKDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO disclosed