SCHEMBL6573404

SCHEMBL6573404

Nc1ccc(N)c(-c2c(O)cccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PDE10A Q9Y233 1/20 0.43
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
BLM P54132 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
SCHEMBL2937966 0.92 PLAU (0.44) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL6572281 0.85 PDE10A (0.50) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL6011330 0.83 PLAU (0.47) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL5687574 0.83 PLAU (0.50) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL6572254 0.80 CYP3A4 (0.43) TDP1ALDH1A1CA1CA2CA12
SCHEMBL2938831 0.80 PDE10A (0.45) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL6573277 0.79 SMN1; SMN2 (0.45) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL2937813 0.78 PLAU (0.46) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL2931439 0.76 PLAU (0.44) PLAUCTDSP1PDE10ATDP1ALDH1A1
SCHEMBL2939482 0.76 PDE10A (0.45) PLAUCTDSP1PDE10ATDP1ALDH1A1

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed