SCHEMBL9357481

SCHEMBL9357481

Cc1c(C=Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.47
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9357478 1.00 UPP1 (0.47) UPP1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL9357489 0.85 UPP1 (0.39) UPP1ALDH1A1HTT
SCHEMBL9357492 0.85 UPP1 (0.39) UPP1ALDH1A1HTT
SCHEMBL9357433 0.79 UPP1 (0.40) UPP1ALDH1A1HTT
SCHEMBL7219933 0.77 UPP1 (0.59) UPP1ALDH1A1KMT2AHPGD
SCHEMBL9354070 0.76 UPP1 (0.44) UPP1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL9354084 0.76 UPP1 (0.44) UPP1ALDH1A1KMT2AKDM4ELMNA
Hept SCHEMBL384288 0.75 UPP1 (0.48) UPP1ALDH1A1KMT2ANPSR1HPGD
SCHEMBL9598080 0.75 UPP1 (0.48) UPP1ALDH1A1KMT2AHPGD
SCHEMBL9357419 0.74 UPP1 (0.47) UPP1ALDH1A1KMT2AHPGD

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