SCHEMBL6922379

SCHEMBL6922379

CCCCc1nc(SCC)c(CO)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 5/20 0.36
GSK3B P49841 1/20 0.35
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL6920933 0.77 PARP1 (0.44) ALDH1A1GPR84GSK3BPARP1
SCHEMBL4356446 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL6919860 0.75 PARP1 (0.38) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL9083256 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL8435741 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL225 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL6922119 0.74 MAPT (0.36) ALDH1A1MAPTLMNA
SCHEMBL7716174 0.72 GPR84 (0.35) ALDH1A1MAPK1GPR84GSK3BPARP1
SCHEMBL9081675 0.71 GPR84 (0.45) ALDH1A1MAPK1GPR84PI4KAPI4K2B
SCHEMBL8823569 0.71 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074258-A1 NOVEL SULPHATED IMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF, NOVEL INTERMEDIATES OBTAINED, APPLICATION THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ABOVE CAILLE JEAN-CLAUDE (FR) 2004-09-02 WO disclosed
EP-0465368-B1 Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-20 EP disclosed
US-5684028-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1997-11-04 US disclosed
US-5599830-A ANGIOTENSIN INHIBITORS ROUSSEL UCLAF (FR) 1997-02-04 US disclosed
US-5412101-A Angiotensin II inhibitor ROUSSEL-UCLAF (FR) 1995-05-02 US disclosed
EP-0465368-A1 Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-01-08 EP disclosed