SCHEMBL9022983

SCHEMBL9022983

CC[C@H](C)[C@H](NCCOCn1cnc2c(=O)[nH]c(N)nc21)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HBB P68871 2/20 0.62
MAPK1 P28482 1/20 0.62
PNP P00491 7/20 0.61
BLM P54132 2/20 0.61
TSHR P16473 2/20 0.61
USP2 O75604 1/20 0.61
EDNRA P25101 1/20 0.61
HTR2A P28223 1/20 0.61
RECQL P46063 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HPRT1 P00492 5/20 0.56
POLG P54098 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
Hydrochloric Acid SCHEMBL9027295 0.99 HBB (0.64) MEN1KMT2AHBBMAPK1PNP
Hydrochloric Acid SCHEMBL9027278 0.99 HBB (0.64) MEN1KMT2AHBBMAPK1PNP
SCHEMBL7496272 0.93 MEN1 (0.68) MEN1KMT2AHBBMAPK1PNP
Hydrochloric Acid SCHEMBL4908550 0.92 HBB (0.69) MEN1KMT2AHBBMAPK1PNP
Hydrochloric Acid SCHEMBL9275315 0.91 HBB (0.68) MEN1KMT2AHBBMAPK1PNP
Hydrochloric Acid SCHEMBL9414134 0.91 HBB (0.68) MEN1KMT2AHBBMAPK1PNP
SCHEMBL16581549 0.86 MEN1 (0.68) MEN1KMT2AHBBMAPK1PNP
Valine SCHEMBL16581547 0.82 MEN1 (0.81) MEN1KMT2AHBBMAPK1PNP
Acyclovir SCHEMBL5806934 0.81 MEN1 (0.77) MEN1KMT2AHBBMAPK1PNP
Hydrochloric Acid SCHEMBL9023678 0.80 HBB (0.84) MEN1KMT2AHBBMAPK1PNP

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-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1996-05-29 EP claimed
US-5061708-A TREATMENT OF INFECTION BY HERPES OR CYTOMEGALO VIRUS BURROUGHS WELLCOME CO. (US) 1991-10-29 US claimed