SCHEMBL5234485

SCHEMBL5234485

O=C(O)Oc1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1CNCc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
LTA4H P09960 1/20 0.36
VDR P11473 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36
GRM5 P41594 2/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NOTUM Q6P988 1/20 0.33
CXCR4 P61073 1/20 0.33
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
BRD4 O60885 4/20 0.32
HRH1 P35367 1/20 0.32
CTSS P25774 1/20 0.32
KMT2A Q03164 1/20 0.32
BRDT Q58F21 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
SCHEMBL2988705 0.90 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5232127 0.90 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5228571 0.89 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5231614 0.88 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5237010 0.85 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5228235 0.85 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234741 0.84 CNR1 (0.34) GRM5
SCHEMBL5230751 0.83 EGFR (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5234807 0.82 EGFR (0.37) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994293 0.79 EGFR (0.40) 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