SCHEMBL28431107

SCHEMBL28431107

CC(CCC(=O)O)CCn1cnc2cnc(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
ADRA1A P35348 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HDAC6 Q9UBN7 3/20 0.45
RPS6KA3 P51812 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP2C19 P33261 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
APAF1 O14727 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL19242423 0.84 KDM4E (0.60) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14382185 0.81 KDM4E (0.81) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27547137 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6950568 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10848639 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDADRA1AHSD17B10
6-Deoxy Penciclovir SCHEMBL4207112 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7453112 0.78 KDM4E (0.65) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7456549 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL30052297 0.76 HDAC6 (0.54) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL452417 0.76 HDAC6 (0.54) KDM4EALDH1A1HPGDADRA1AHSD17B10

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
CN-107488176-B Method for synthesizing famciclovir impurity C 浙江医药股份有限公司新昌制药厂 2020-07-21 CN disclosed