SCHEMBL14714646

SCHEMBL14714646

CC(=O)[C@@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
BLM P54132 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
RGS12 O14924 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
CASP1 P29466 1/20 0.62
GNAI1 P63096 1/20 0.62
HIF1A Q16665 1/20 0.62
NOS1 P29475 7/20 0.38
USP2 O75604 1/20 0.38
PAH P00439 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL21009255 0.83 HSD17B10 (0.63) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL258405 0.83 HSD17B10 (0.63) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL31026287 0.83 HSD17B10 (0.63) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL31484058 0.78 CASP7 (0.54) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL26499714 0.77 MAPT (0.56) CASP7HSD17B10KDM4EMAPTBLM
Sepiapterin SCHEMBL20374908 0.76 HSD17B10 (1.00) CASP7HSD17B10KDM4EMAPTBLM
Sepiapterin SCHEMBL7943016 0.76 HSD17B10 (1.00) CASP7HSD17B10KDM4EMAPTBLM
Sepiapterin SCHEMBL8288993 0.76 HSD17B10 (1.00) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL19734024 0.75 CASP7 (0.83) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL7362054 0.74 CASP7 (0.58) CASP7HSD17B10KDM4EMAPTBLM

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
US-11173158-B2 Medicinal agent and beverage/food for preventing cerebral dysfunction and improving same PTC THERAPEUTICS MP, INC. (US) 2021-11-16 US disclosed
US-20180078557-A1 MEDICINAL AGENT AND BEVERAGE/FOOD FOR PREVENTING CEREBRAL DYSFUNCTION AND IMPROVIDNG SAME PTC THERAPEUTICS MP, INC. 2018-03-22 US disclosed
US-20130197000-A1 DRUG AND FOOD/DRINK FOR PREVENTING OR IMPROVING CEREBRAL DYSFUNCTION NIHON UNIVERSITY (JP) 2013-08-01 US disclosed
EP-2562176-A1 MEDICINAL AGENT AND BEVERAGE/FOOD FOR PREVENTING CEREBRAL DYSFUNCTION AND IMPROVING SAME Nihon University (JP) 2013-02-27 EP disclosed