SCHEMBL4560955

SCHEMBL4560955

Cc1[nH]c(=O)[nH]c(=O)c1Br.Cc1[nH]c(=O)[nH]c(=O)c1Br

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.52
PNP P00491 1/20 0.52
ATM Q13315 1/20 0.42
IDH1 O75874 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
NPC1 O15118 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2891489 1.00 TYMP (0.52) TYMPPNPATMIDH1CSNK2A2
SCHEMBL4560425 0.72 TYMP (0.56) TYMPPNPNPC1PDE3BPDE3A
SCHEMBL1445690 0.72 TYMP (0.56) TYMPPNPNPC1PDE3BPDE3A
SCHEMBL31490467 0.72 TYMP (0.56) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL5163518 0.70 TYMP (0.48) TYMPNPC1SMN1; SMN2
SCHEMBL31376425 0.70 TYMP (0.54) TYMPPNPATMIDH1CSNK2A2
SCHEMBL11504357 0.69 ATM (0.41) ATMIDH1CSNK2A2CSNK2BCSNK2A1
SCHEMBL11002379 0.69 TYMP (0.50) TYMPPNPGPR84
SCHEMBL4561126 0.68 TYMP (0.52) TYMPNPC1PDE3BPDE3A
SCHEMBL2891526 0.68 TYMP (0.52) TYMPPNPNPC1SMN1; SMN2

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
US-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed