SCHEMBL7836027

SCHEMBL7836027

O=C1CSC(=O)N1CCCCOc1cccc2nccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32

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 0.83 HSD17B10 (0.39) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7844854 0.82 HSD17B10 (0.38) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7834522 0.81 HSD17B10 (0.39) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7846436 0.81 HSD17B10 (0.41) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7844966 0.80 HSD17B10 (0.41) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7835092 0.79 HSD17B10 (0.37) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7835482 0.79 TSHR (0.42) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7844413 0.78 TSHR (0.36) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7846040 0.76 HSD17B10 (0.43) ALDH1A1TSHRHSD17B10KDM4EGSK3A
SCHEMBL7847058 0.76 GSK3A (0.48) ALDH1A1TSHRHSD17B10KDM4EGSK3A

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