SCHEMBL6162735

SCHEMBL6162735

CCC1C(=O)N(C)C(=S)N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 4/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 7/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 1/20 0.33
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL21364018 0.86 KDM4E (0.38) ALDH1A1KDM4EHPGDNPSR1
SCHEMBL1263716 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL9337272 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL9334266 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL11739099 0.73 NPSR1 (0.40) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL11822220 0.73 NPSR1 (0.40) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL3267916 0.72 MEN1 (0.35) MEN1KMT2A
SCHEMBL10336238 0.71 F2 (0.42) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL22281755 0.70 GAA (0.32) GAA
SCHEMBL13158315 0.70 GAA (0.32) GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977545-B1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-02-16 EP claimed
EP-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 US claimed