SCHEMBL24524710

SCHEMBL24524710

CCc1ccc(N)c(NC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL14207775 0.83 NOS3 (0.39) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL14043275 0.83 LOXL2 (0.39) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL22474134 0.83 PRKCI (0.47) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL27481430 0.82 ALDH1A1 (0.37) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL15177780 0.82 SLC6A2 (0.41) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL23378387 0.82 NOS3 (0.38) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL25665126 0.80 TRPA1 (0.43) GAAALDH1A1MAPTNOS3NOS1
SCHEMBL23378098 0.80 KDM4E (0.43) GAAALDH1A1KDM4EMAPTALOX15
Hydrochloric Acid SCHEMBL11222697 0.80 SKP2 (0.59) ALDH1A1HPGDTSHRHSD17B10RAB9A
SCHEMBL13754339 0.77 TRPA1 (0.40) GAAALDH1A1MAPTTSHRTRPA1

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
WO-2022129369-A1 COMPOSITION COMPRISING TWO PARTICULAR OXIDATION DYE PRECURSORS, AN OXYETHYLENATED FATTY ACID ESTER OF SORBITAN AND A FATTY ACID L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129380-A1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYE PRECURSOR AND A PARTICULAR CARBOXYLIC ACID L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129377-A1 COMPOSITION COMPRISING THE COMBINATION OF TWO PARTICULAR OXIDATION DYE PRECURSORS AND A PARTICULAR CARBOXYLIC ACID L'OREAL (FR) 2022-06-23 — — WO disclosed
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