SCHEMBL8046579

SCHEMBL8046579

Cn1c(=O)n(C)c2nc(S)ncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
ALDH1A1 P00352 3/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
NTSR1 P30989 1/20 0.37

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
SCHEMBL23620552 0.78 HPGD (0.56) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL12251819 0.69 HSD17B10 (0.55) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL19657538 0.67 PDE3B (0.51) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL5454832 0.64 ALDH1A1 (0.50) HSD17B10HPGDHTTALDH1A1KDM4E
SCHEMBL30349792 0.64 HSD17B10 (0.62) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL13733156 0.64 PIK3CD (0.47) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL3513392 0.64 HSD17B10 (1.00) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL25407471 0.64 HSD17B10 (0.62) HSD17B10HPGDHTTPDE3BPDE3A
SCHEMBL25057366 0.63 HSD17B10 (0.44) HSD17B10HPGDHTTGSK3BPIK3CD
SCHEMBL23473313 0.63 HSD17B10 (0.43) HSD17B10HPGDHTTGSK3BPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed