SCHEMBL7845965

SCHEMBL7845965

Nc1ncccc1OCCCN1C(=O)CSC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL7846002 0.96 ALDH1A1 (0.44) ALDH1A1NR1H2NR1H3SMN1; SMN2HSD17B10
SCHEMBL7844901 0.77 ALDH1A1 (0.43) ALDH1A1NR1H2NR1H3SMN1; SMN2HSD17B10
SCHEMBL7845753 0.75 NPC1 (0.40) ALDH1A1SMN1; SMN2LTA4HMAPK14NPC1
SCHEMBL7842563 0.74 ALDH1A1 (0.42) ALDH1A1NR1H2NR1H3SMN1; SMN2HSD17B10
SCHEMBL7878513 0.69 MAPT (0.53) ALDH1A1NR1H2NR1H3SMN1; SMN2HSD17B10
SCHEMBL7245903 0.69 KDM4E (0.60) ALDH1A1SMN1; SMN2TSHR
SCHEMBL7845274 0.69 ALDH1A1 (0.44) ALDH1A1NR1H2NR1H3SMN1; SMN2HSD17B10
SCHEMBL4776890 0.68 HTR1A (0.56) ALDH1A1GAA
SCHEMBL11084194 0.68 LTA4H (0.56) SMN1; SMN2LTA4HMAPK14RECQLMEN1
SCHEMBL7843486 0.68 LTA4H (0.56) SMN1; SMN2LTA4HMAPK14RECQLMEN1

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