SCHEMBL7834522

SCHEMBL7834522

O=C1CSC(=O)N1CCCc1cccc2nccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
PIM1 P11309 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL7846980 0.96 HSD17B10 (0.39) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7844854 0.95 HSD17B10 (0.38) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7846436 0.95 HSD17B10 (0.41) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7847058 0.85 GSK3A (0.48) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7836027 0.81 ALDH1A1 (0.42) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7835482 0.81 TSHR (0.42) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7844966 0.80 HSD17B10 (0.41) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7835092 0.79 HSD17B10 (0.37) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7844413 0.78 TSHR (0.36) HSD17B10TSHRKDM4EALDH1A1GSK3A
SCHEMBL7846040 0.78 HSD17B10 (0.43) HSD17B10TSHRKDM4EALDH1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed