SCHEMBL7845810

SCHEMBL7845810

O=C1CSC(=O)N1CCC(CCSc1cccc2nccn12)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 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 0.84 HSD17B10 (0.43) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL7835482 0.82 TSHR (0.42) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL7844966 0.81 HSD17B10 (0.41) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL7847936 0.80 SPHK2 (0.32)
Hydrochloric Acid SCHEMBL7847285 0.79 SPHK2 (0.32)
SCHEMBL7845861 0.78 TSHR (0.43) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL7841724 0.77 TSHR (0.38) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL8603428 0.73
SCHEMBL7846436 0.70 HSD17B10 (0.41) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL7834522 0.68 HSD17B10 (0.39) TSHRKDM4EHSD17B10MEN1KMT2A

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 3 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
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