SCHEMBL7841724

SCHEMBL7841724

CC(C)(CCSc1cccc2nccn12)CCN1C(=O)CSC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL7846040 0.88 HSD17B10 (0.43) TSHRHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL7835482 0.86 TSHR (0.42) TSHRHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL7844966 0.85 HSD17B10 (0.41) TSHRHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL7845861 0.82 TSHR (0.43) TSHRHSD17B10KDM4EALDH1A1POLB
SCHEMBL7835132 0.77 CISD1 (0.35)
SCHEMBL7835134 0.77 CISD1 (0.35)
SCHEMBL7845810 0.77 TSHR (0.36) TSHRHSD17B10KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7834739 0.77 CISD1 (0.35)
Hydrochloric Acid SCHEMBL7834735 0.77 CISD1 (0.35)
SCHEMBL7844434 0.76 CDK8 (0.35)

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