SCHEMBL7841320

SCHEMBL7841320

Cc1nc2[nH]cc(C(C)c3ccc(C(=O)O)s3)c2c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.36
FOLR1 P15328 4/20 0.33
SLC19A1 P41440 4/20 0.33
SLC46A1 Q96NT5 4/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TYMS P04818 4/20 0.32
GART P22102 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.31
BCAT2 O15382 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL7852327 0.82 FOLR1 (0.55) FOLR1SLC19A1SLC46A1TYMSGART
SCHEMBL7843073 0.81 FOLR1 (0.51) FOLR1SLC19A1SLC46A1TYMSGART
SCHEMBL7851441 0.80 MMP12 (0.37)
SCHEMBL7851872 0.78 TYMS (0.43) TYMSGAA
SCHEMBL7851328 0.73 DAO (0.33) DAOFOLR1SLC19A1SLC46A1LMNA
SCHEMBL7858260 0.70 NPSR1 (0.42) FOLR1SLC19A1SLC46A1LMNATYMS
SCHEMBL7853357 0.66 TYMS (0.51) FOLR1SLC19A1SLC46A1TYMSGART
SCHEMBL2141423 0.62 DAO (0.64) DAOALDH1A1GAA
SCHEMBL7854494 0.62 TYMS (0.43) TYMSGAA
SCHEMBL7851196 0.62 TYMS (0.48) L3MBTL1TYMSALDH1A1MAPK1PARP1

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-0923287-A4 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES LILLY CO ELI (US) 2001-08-01 EP disclosed
EP-0923287-A1 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-06-23 EP disclosed
WO-1998008382-A1 NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed