SCHEMBL7844901

SCHEMBL7844901

O=C1CSC(=O)N1CCCOc1cccn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
SSTR4 P31391 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
PIM1 P11309 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7842563 0.97 ALDH1A1 (0.42) ALDH1A1NR1H2NR1H3GSK3AGSK3B
SCHEMBL7845274 0.79 ALDH1A1 (0.44) ALDH1A1NR1H2NR1H3GSK3AGSK3B
SCHEMBL7845965 0.77 ALDH1A1 (0.45) ALDH1A1NR1H2NR1H3GSK3AGSK3B
SCHEMBL7835071 0.77 HRH3 (0.42) ALDH1A1NR1H2NR1H3GSK3AGSK3B
SCHEMBL7845952 0.76 SSTR4 (0.36) ALDH1A1SSTR4TSHRMEN1KMT2A
SCHEMBL7846002 0.74 ALDH1A1 (0.44) ALDH1A1NR1H2NR1H3GSK3AGSK3B
SCHEMBL7841929 0.73 ALDH1A1 (0.43) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL7847754 0.73 SPHK2 (0.45) SSTR4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7847755 0.73 SPHK2 (0.45) SSTR4MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7842671 0.72 SPHK2 (0.44) SSTR4MEN1KMT2AMAPTSMN1; SMN2

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