SCHEMBL5237010

SCHEMBL5237010

O=C(O)Oc1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
TYMS P04818 2/20 0.39
LTA4H P09960 2/20 0.39
VDR P11473 2/20 0.39
SRC P12931 2/20 0.39
MAPK1 P28482 2/20 0.39
CTSK P43235 2/20 0.39
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HRH1 P35367 1/20 0.35
NOTUM Q6P988 1/20 0.34
PTGS2 P35354 2/20 0.33
SLC2A1 P11166 1/20 0.33
AKR1C3 P42330 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5230751 0.95 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234807 0.92 EGFR (0.37) EGFRTYMSLTA4HVDRSRC
SCHEMBL5228235 0.90 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995605 0.89 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL5231614 0.88 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5232127 0.88 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5228571 0.86 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234485 0.85 EGFR (0.36) EGFRTYMSLTA4HVDRSRC
SCHEMBL2990712 0.84 EGFR (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL5231069 0.83 LSS (0.36) MAPK1KMT2ATACR1KDM4EALDH1A1

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed