SCHEMBL6665261

SCHEMBL6665261

CCN(CCNC(C)=O)c1cccc(NC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.52
MTNR1B P49286 17/20 0.52
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL11323791 0.89 MTNR1A (0.52) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL29387324 0.83 GFER (0.63) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL244238 0.83 GFER (0.63) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL4843540 0.83 ALDH1A1 (0.61) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL8978503 0.81 MTNR1A (0.68) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL27964845 0.80 MTNR1B (0.54) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL9854054 0.80 ALDH1A1 (0.46) MEN1GAAMAPTHTTKMT2A
SCHEMBL4377348 0.79 ALDH1A1 (0.55) MEN1GAAMAPTHTTKMT2A
SCHEMBL31657712 0.79 ALDH1A1 (0.55) MEN1GAAMAPTHTTKMT2A
SCHEMBL8746606 0.78 NR3C1 (0.45) MEN1GAAMAPTHTTKMT2A

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
US-6758866-B2 AQUEOUS SOLUTION OF CHELATE COMPOUND, OXIDATION COLOR DYE AND COUPLER UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-07-06 US disclosed
US-6695888-B2 COMPLEX TRANSITION METAL HAIR DYE UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. 2004-02-24 US disclosed
WO-2004014328-A1 ONE STEP HAIR COLORING COMPOSITIONS COMPRISING WATER SOLUBLE CARBONATE RELEASING SALTS UNILEVER PLC (GB) 2004-02-19 WO disclosed
US-20040019980-A1 One step hair coloring compositions using salts UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-02-05 US disclosed
US-20030135935-A1 Enhanced color deposition for hair with sequestering agents UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-07-24 US disclosed
US-20030066140-A1 Transition metal complexes as dye forming catalysts in hair coloring compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-10 US disclosed