SCHEMBL7375459

SCHEMBL7375459

NS(=O)(=O)c1ncnc2nc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.54
PI4KA P42356 2/20 0.53
PI4K2B Q8TCG2 2/20 0.53
PI4K2A Q9BTU6 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
LRRK2 Q5S007 2/20 0.53
LMNA P02545 2/20 0.53
DRD3 P35462 1/20 0.53
XDH P47989 1/20 0.53
ROCK1 Q13464 1/20 0.52
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TNNI3K Q59H18 1/20 0.48
G6PD P11413 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11415127 0.81 HIF1A (0.54) HIF1API4KAPI4K2BPI4K2API4KB
SCHEMBL7375286 0.81 HSD17B10 (0.55) HIF1API4KAPI4K2BPI4K2API4KB
SCHEMBL30925386 0.77 HIF1A (0.61) HIF1API4KAPI4K2BPI4K2API4KB
SCHEMBL9350406 0.75 DPP4 (0.59) HSD17B10CYP1A2CYP2C19PDPK1CDK2
SCHEMBL5998976 0.75 HIF1A (0.48) HIF1API4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL40371 0.73 PI4KA (0.79) HIF1API4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL29546720 0.73 PI4KA (0.79) HIF1API4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL30565251 0.73 PI4KA (0.79) HIF1API4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL6308303 0.71 PI4KA (0.76) HIF1API4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL8426318 0.71 PI4KA (0.79) HIF1API4KAPI4K2BPI4K2API4KB

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
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US claimed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP claimed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO claimed
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US disclosed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP disclosed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO disclosed