SCHEMBL5232127

SCHEMBL5232127

O=C(O)Oc1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1CNCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
TYMS P04818 2/20 0.38
LTA4H P09960 2/20 0.38
VDR P11473 2/20 0.38
SRC P12931 2/20 0.38
MAPK1 P28482 2/20 0.38
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.33
NOTUM Q6P988 1/20 0.33
BRD4 O60885 3/20 0.32
F10 P00742 1/20 0.32
CACNA1G O43497 1/20 0.32
AVPR1B P47901 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TACR1 P25103 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5228571 0.92 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5231614 0.91 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234485 0.90 EGFR (0.36) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995091 0.89 MAPK1 (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL5228235 0.88 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5237010 0.88 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5230751 0.86 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234807 0.84 EGFR (0.37) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994293 0.82 EGFR (0.40) EGFRTYMSLTA4HVDRSRC
SCHEMBL2992070 0.80 EGFR (0.41) EGFRTYMSLTA4HVDRSRC

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