SCHEMBL9357489

SCHEMBL9357489

C/C=C\c1c(C)c(=O)[nH]c(=O)n1COCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.39
PNP P00491 3/20 0.38
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9357492 1.00 UPP1 (0.39) UPP1PNPHTTALDH1A1USP2
SCHEMBL9357478 0.85 UPP1 (0.47) UPP1HTTALDH1A1
SCHEMBL9357481 0.85 UPP1 (0.47) UPP1HTTALDH1A1
SCHEMBL9357433 0.85 UPP1 (0.40) UPP1PNPHTTALDH1A1
SCHEMBL9353761 0.74 UPP1 (0.40) UPP1PNPHTTALDH1A1USP2
SCHEMBL9353685 0.73 UPP1 (0.39) UPP1PNPHTTALDH1A1USP2
SCHEMBL28567002 0.71 UPP1 (0.40) UPP1PNPHTTALDH1A1USP2
SCHEMBL9353779 0.70 PNP (0.38) UPP1PNPHTTALDH1A1USP2
SCHEMBL7219933 0.70 UPP1 (0.59) UPP1PNPALDH1A1
SCHEMBL9354063 0.69 UPP1 (0.44) UPP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371139-B1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS MITSUBISHI CHEM IND (JP) 1994-10-12 EP disclosed
US-5112835-A 6-SUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING THE SAME AS ACTIVE INGREDIENT THEREOF MITSUBISHI KASEI CORPORATION (JP) 1992-05-12 US disclosed
EP-0371139-A1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS Mitsubishi Chemical Corporation (JP) 1990-06-06 EP disclosed