SCHEMBL9414136

SCHEMBL9414136

CC[C@H](C)[C@@H](C(=O)O)N(CCOCn1cnc2c(=O)[nH]c(N)nc21)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HBB P68871 2/20 0.52
MAPK1 P28482 1/20 0.52
PNP P00491 9/20 0.50
BLM P54132 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
EDNRA P25101 1/20 0.50
HTR2A P28223 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLG P54098 1/20 0.44
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43

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
SCHEMBL4901757 0.93 MEN1 (0.57) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL8448753 0.81 MEN1 (0.57) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL7778377 0.81 PDE3A (0.54) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL9414135 0.76 MEN1 (0.52) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL4910722 0.75 MEN1 (0.65) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL13928911 0.75 MEN1 (0.65) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL9022983 0.75 MEN1 (0.64) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL13916680 0.74 MEN1 (0.61) HPRT1MEN1KMT2AHBBMAPK1
SCHEMBL4901750 0.74 MEN1 (0.54) HPRT1MEN1KMT2AHBBMAPK1
Hydrochloric Acid SCHEMBL9027278 0.74 HBB (0.64) HPRT1MEN1KMT2AHBBMAPK1

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
EP-0596542-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1994-05-11 EP disclosed
US-5061708-A TREATMENT OF INFECTION BY HERPES OR CYTOMEGALO VIRUS BURROUGHS WELLCOME CO. (US) 1991-10-29 US disclosed