SCHEMBL20998664

SCHEMBL20998664

Cc1cc(=O)[nH]c(=O)n1I

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.38
CRBN Q96SW2 1/20 0.35
LPO P22079 1/20 0.35
PTGS1 P23219 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6027678 0.76 TYMP (0.46) TYMPATMALDH1A1KDM4EGAA
SCHEMBL27816353 0.73 TYMP (0.45) TYMPATMALDH1A1KDM4EGAA
SCHEMBL28263643 0.73 TYMP (0.43) TYMPATMALDH1A1KDM4EGAA
SCHEMBL12702529 0.70 TYMP (0.41) TYMPATMALDH1A1KDM4EGAA
SCHEMBL4960409 0.70 POLB (0.46) TYMPATMALDH1A1KDM4EGAA
SCHEMBL15469004 0.70 POLB (0.43) TYMPATMALDH1A1KDM4EGAA
SCHEMBL8768819 0.68 TYMP (0.44) TYMPATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL9191218 0.68 ATM (0.44) TYMPATMALDH1A1KDM4EGAA
SCHEMBL24420566 0.68 SMN1; SMN2 (0.46) ALDH1A1KDM4EGAACA1LPO
SCHEMBL4469664 0.67 KDM4E (0.45) TYMPATMALDH1A1KDM4EGAA

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
EP-2265626-B1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE LCB PHARMA INC (CA) 2019-05-15 EP disclosed