SCHEMBL7020488

SCHEMBL7020488

CC#CCn1c(=O)c2cc(C(=O)O)sc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
PARG Q86W56 1/20 0.34
DPP4 P27487 8/20 0.33
MMP13 P45452 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABL1 P00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIN1 Q13671 1/20 0.33
LMNA P02545 1/20 0.33
TRPC5 Q9UL62 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
SCHEMBL7035440 0.84 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL7021108 0.83 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL6256894 0.81 MMP13 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6254110 0.79 TRPA1 (0.48) TRPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7105492 0.78 HDAC8 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6729378 0.78 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL6254904 0.76 MAPK8 (0.41) ALDH1A1PARGDPP4LMNA
SCHEMBL7105942 0.76 ADORA2B (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6446967 0.76 MMP13 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL7038890 0.76 MMP13 (0.46) TRPA1KDM4ESMN1; SMN2MAPTPARG

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed