SCHEMBL7807643

SCHEMBL7807643

CNc1cc(CC(O)CO)cc(-c2cccs2)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
LTA4H P09960 1/20 0.35
GAA P10253 2/20 0.34
KEAP1 Q14145 1/20 0.34
HDAC2 Q92769 11/20 0.33
HDAC1 Q13547 11/20 0.33
HDAC3 O15379 7/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IKBKB O14920 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7805959 0.84 KCNH2 (0.36) ALDH1A1MAPTHPGDKMT2ANPSR1
SCHEMBL7806004 0.83 LTA4H (0.38) ALDH1A1MAPTHPGDKMT2ANPSR1
SCHEMBL7807623 0.79 LTA4H (0.35) ALDH1A1MAPTHPGDKMT2ANPSR1
SCHEMBL7461302 0.79 MEN1 (0.34) MAPTKMT2AMEN1HSD17B10KCNH2
SCHEMBL7812294 0.76
SCHEMBL7808839 0.76 PTPN1 (0.36) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7808604 0.76 HDAC1 (0.36) ALDH1A1MAPTHPGDKMT2ANPSR1
SCHEMBL7807633 0.75 PRKCA (0.31) CYP3A4
SCHEMBL7456352 0.74
SCHEMBL7456583 0.73 PRKCA (0.31)

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed