SCHEMBL5713705

SCHEMBL5713705

NC(=O)N(c1cc(N)c2sc3ccccc3c2c1N)C(CO)Oc1cc(N)c2sc3ccccc3c2c1N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.35
IKBKB O14920 1/20 0.33
LIMK1 P53667 1/20 0.33
F9 P00740 5/20 0.31
F10 P00742 5/20 0.31
PLAU P00749 5/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL3885247 0.70 IDO1 (0.39) ALOX5IKBKBLIMK1KDM4EMEN1
SCHEMBL3875812 0.68 MAPK3 (0.45) LIMK1KDM4EMEN1ALDH1A1GLA
SCHEMBL3879312 0.65 IKBKB (0.48) IKBKBLIMK1F10KDM4EMEN1
SCHEMBL3876773 0.63 L3MBTL1 (0.40) IKBKBLIMK1KDM4EMEN1ALDH1A1
SCHEMBL3882583 0.61 ALDH1A1 (0.44) IKBKBLIMK1KDM4EMEN1ALDH1A1
SCHEMBL3879057 0.61 MAPT (0.40) IKBKBLIMK1KDM4EMEN1ALDH1A1
SCHEMBL3872729 0.61 IDO1 (0.39) ALOX5IKBKBLIMK1F9F10
SCHEMBL3876292 0.59 ALDH1A1 (0.38) IKBKBLIMK1KDM4EMEN1ALDH1A1
SCHEMBL3878009 0.58 MAPK3 (0.45) LIMK1KDM4EMEN1ALDH1A1GLA
SCHEMBL3882573 0.58 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1GLAGAA

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
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed