SCHEMBL22293254

SCHEMBL22293254

Cc1nc(N(Cc2ccccc2)C2CCCCC2)sc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.37
AGER Q15109 3/20 0.36
MTNR1A P48039 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC18A3 Q16572 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL22293272 0.84 ALDH1A1 (0.39) G6PC1USP2HPGDHSD17B10MAPK1
SCHEMBL18974925 0.77 MAPK1 (0.42) USP2HPGDHSD17B10MAPK1AGER
SCHEMBL18974924 0.76 LPAR1 (0.42) USP2HPGDHSD17B10MAPK1AGER
SCHEMBL9057205 0.74 G6PC1 (0.39) G6PC1USP2HPGDHSD17B10MAPK1
SCHEMBL10891206 0.72 G6PC1 (0.50) G6PC1USP2HPGDHSD17B10MAPK1
SCHEMBL4476467 0.72 G6PC1 (0.54) G6PC1USP2HPGDHSD17B10MAPK1
SCHEMBL9057640 0.72 CYP2C19 (0.53) G6PC1USP2HPGDHSD17B10MAPK1
SCHEMBL8794535 0.71 CRHR1 (0.43) KMT2A
SCHEMBL11693064 0.70 S1PR1 (0.48) G6PC1USP2HPGDHSD17B10SLC6A2
SCHEMBL6456177 0.69 SLC6A2 (0.42) G6PC1USP2HPGDHSD17B10MAPK1

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
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed