SCHEMBL4887802

SCHEMBL4887802

Cc1cc(Nc2c(C)c(N)c3c(oc4ccccc43)c2N)c2oc3ccccc3c2c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 6/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
MAOA P21397 1/20 0.35
HSD17B10 Q99714 4/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4881148 0.82 MAPT (0.36) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL4881153 0.79 MAPT (0.34) GAAMAPTHPGDL3MBTL1KDM4E
SCHEMBL3874836 0.78 KDM4E (0.47) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL3882623 0.75 NQO1 (0.43) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL3882591 0.75 RECQL (0.50) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL4887783 0.74 IGF1R (0.38) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL3878088 0.73 ALDH1A1 (0.52) GAAMAPTHPGDALDH1A1KDM4E
SCHEMBL3877504 0.73 KDM4E (0.47) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL3881350 0.73 MAOA (0.48) GAAMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL3873224 0.72 NQO1 (0.43) GAAMAPTHPGDL3MBTL1ALDH1A1

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
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed