SCHEMBL9312154

SCHEMBL9312154

CC(C)OP(=O)(CO[C@@H](CO)Cn1cnc2c(=O)[nH]c(N)nc21)OC(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.68
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
BLM P54132 1/20 0.61
VCP P55072 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
PDE3A Q14432 1/20 0.54

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
SCHEMBL9312160 1.00 HPRT1 (0.68) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9171195 0.89 HPRT1 (0.68) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9171190 0.89 HPRT1 (0.68) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL97316 0.87 HPRT1 (0.75) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL84257 0.87 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL173060 0.87 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9175736 0.87 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL2927244 0.81 HPRT1 (0.72) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL14669071 0.80 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL14669070 0.80 HPRT1 (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302585-A Viricides, HIV virus INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1994-04-12 US disclosed