SCHEMBL27403683

SCHEMBL27403683

CCSc1ccccc1N(N)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GLA P06280 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
SCHEMBL9793625 0.71 S100A4 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23505092 0.69 TSHR (0.39) ALDH1A1MAPTTSHRKDM4ECYP1A2
SCHEMBL28073062 0.68 PSEN1 (0.35) MAPTNPC1
SCHEMBL2857496 0.68 MEN1 (0.58) ALDH1A1MAPTNPSR1HSD17B10ADORA2A
SCHEMBL29565819 0.68 MEN1 (0.58) ALDH1A1MAPTNPSR1HSD17B10ADORA2A
SCHEMBL22564439 0.67 HTR7 (0.31) HSD17B10HTR7
SCHEMBL83274 0.66 CYP3A4 (0.41) ALDH1A1MAPTNPSR1HSD17B10TSHR
SCHEMBL193916 0.66 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HSD17B10TSHR
SCHEMBL1792016 0.66 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HSD17B10TSHR
Aniline SCHEMBL22169134 0.66 POLB (0.53) ALDH1A1MAPTNPSR1HSD17B10ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077212-A Composition of the ester of carboxy-containing copolymer and using method thereof LUBRIZOL CORP (US) 1993-10-13 — — CN disclosed
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