SCHEMBL8990463

SCHEMBL8990463

Nc1nc(SCCO)c2ncn(CO[C@H](CCP(=O)(O)O)COCc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2C9 P11712 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
HPRT1 P00492 7/20 0.43
SLC29A1 Q99808 5/20 0.38
PNP P00491 3/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
VCP P55072 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8990375 0.90 CYP1A2 (0.40) CYP2C19CYP1A2ALDH1A1CYP3A4HIF1A
SCHEMBL9537324 0.75 HDAC1 (0.38) CYP2C19CYP1A2ALDH1A1CYP3A4HIF1A
SCHEMBL9390857 0.72 SLC29A1 (0.36) CYP2C19CYP1A2ALDH1A1CYP3A4HIF1A
SCHEMBL9540469 0.71 HPRT1 (0.53) ALDH1A1CYP3A4HIF1AHPRT1PNP
SCHEMBL10647050 0.70 MGMT (0.40) CYP2C19CYP1A2ALDH1A1CYP3A4HIF1A
SCHEMBL6377806 0.69 BLM (0.72) ALDH1A1CYP3A4HIF1AHPRT1PNP
SCHEMBL6840470 0.69 BLM (0.72) ALDH1A1CYP3A4HIF1AHPRT1PNP
SCHEMBL6835357 0.69 BLM (0.72) ALDH1A1CYP3A4HIF1AHPRT1PNP
SCHEMBL9537339 0.68 HPRT1 (0.38) HPRT1PNP
Hydrochloric Acid SCHEMBL6380553 0.68 BLM (0.71) ALDH1A1CYP3A4HIF1AHPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532225-A TREATMENT OF HERPES VIRUS SRI INTERNATIONAL (US) 1996-07-02 US disclosed
WO-1994003466-A1 ACYCLIC PURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS, AND RELATED SYNTHETIC METHODS SRI INTERNATIONAL (US) 1994-02-17 WO disclosed