SCHEMBL2847906

SCHEMBL2847906

Nc1ccc(N)c(C(O)CCC(O)CCC(O)CCC(O)c2cc(N)ccc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.36
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL29358097 0.82 THRB (0.36) NOS2THRBRECQLMEN1USP2
SCHEMBL111094 0.82 THRB (0.36) NOS2THRBRECQLMEN1USP2
Hydrochloric Acid SCHEMBL19549198 0.80 MAPT (0.39) NOS2THRBRECQLMEN1USP2
SCHEMBL6946033 0.80 THRB (0.35) NOS2THRBRECQLMEN1USP2
SCHEMBL11402718 0.78 PDE2A (0.39) NOS2THRBRECQLMEN1USP2
SCHEMBL19972208 0.78 THRB (0.34) NOS2THRBRECQLMEN1USP2
SCHEMBL30120579 0.78 PDE2A (0.39) NOS2THRBRECQLMEN1USP2
Sulfuric Acid SCHEMBL6947452 0.74 ALDH1A1 (0.50) THRBRECQLMEN1USP2POLB
SCHEMBL9638692 0.72 THRB (0.35) THRBRECQLMEN1USP2POLB
SCHEMBL446559 0.71 ALDH1A1 (0.41) THRBRECQLMEN1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP claimed
EP-1139989-B1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KGAA (DE) 2006-10-18 EP claimed
US-6743263-B1 Method for coloring keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-01 US claimed
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP disclosed
EP-1139989-B1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KGAA (DE) 2006-10-18 EP disclosed
US-6743263-B1 Method for coloring keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-01 US disclosed