SCHEMBL25678196

SCHEMBL25678196

CC(C)=NNc1ccc(C(=O)NCc2cccc(S(=O)(=O)O)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ HPGDS O60760 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ROCK2 O75116 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 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
SCHEMBL25677914 0.85 HPGDS (0.46) NPC1HPGDSALDH1A1GAAHSD17B10
SCHEMBL25678287 0.84 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10KDM4EPOLB
SCHEMBL23253692 0.76 HCAR3 (0.47) —
SCHEMBL18726788 0.73 POLB (0.49) NPC1KDM4ELMNAPOLBNAMPT
SCHEMBL10014111 0.73 HCAR3 (0.52) NPC1ALDH1A1L3MBTL1KDM4ENAMPT
SCHEMBL17035833 0.72 L3MBTL1 (0.52) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL13349240 0.72 POLB (0.48) NPC1L3MBTL1KDM4ELMNAPOLB
SCHEMBL25677919 0.72 CA2 (0.51) ALDH1A1GAAHSD17B10LMNAMAPT
SCHEMBL12583937 0.72 MAPT (0.43) NPC1HPGDSL3MBTL1KDM4ELMNA
SCHEMBL12899773 0.71 BAZ2B (0.48) ALDH1A1LMNAHTT

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
US-20230194537-A1 COMPOUNDS FOR THE DETECTION OF GLYCANS Life Technologies Corporation 2023-06-22 — — US disclosed
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