SCHEMBL28646181

SCHEMBL28646181

Nc1nc2c(c(=O)[nH]1)NCN2CC(CO)OCP

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.75
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
VCP P55072 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE3A Q14432 1/20 0.31
NOS1 P29475 3/20 0.31
USP2 O75604 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PAH P00439 1/20 0.30

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
SCHEMBL28513633 0.87 HPRT1 (0.72) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL84258 0.86 HPRT1 (1.00) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL147641 0.83 HPRT1 (0.67) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL7142937 0.81 HPRT1 (0.64) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL7745028 0.81 HPRT1 (0.64) HPRT1ALDH1A1BLMKMT2ANOS1
SCHEMBL10919076 0.80 HPRT1 (0.62) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL10918859 0.79 HPRT1 (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL5181365 0.79 HPRT1 (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9171216 0.78 HPRT1 (0.69) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL417578 0.78 HPRT1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113679931-A Drug coated balloon 因特尔赛克特耳鼻喉公司 2021-11-23 CN disclosed
CN-107427668-B Drug coated balloon 因特尔赛克特耳鼻喉公司 2021-09-03 CN disclosed