SCHEMBL7846436

SCHEMBL7846436

O=C1CSC(=O)N1CCc1cccc2nccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
PIM1 P11309 1/20 0.36
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL7834522 0.95 HSD17B10 (0.39) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7846980 0.94 HSD17B10 (0.39) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7844854 0.93 HSD17B10 (0.38) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7847058 0.87 GSK3A (0.48) HSD17B10TSHRKDM4EGSK3AGSK3B
SCHEMBL7836027 0.81 ALDH1A1 (0.42) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7835482 0.80 TSHR (0.42) HSD17B10TSHRKDM4EGSK3AGSK3B
SCHEMBL7846040 0.80 HSD17B10 (0.43) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7844966 0.79 HSD17B10 (0.41) HSD17B10TSHRKDM4EGSK3AGSK3B
SCHEMBL7835092 0.78 HSD17B10 (0.37) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A
SCHEMBL7844413 0.78 TSHR (0.36) HSD17B10TSHRKDM4ESMN1; SMN2GSK3A

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