SCHEMBL8544874

SCHEMBL8544874

CC(C)(C)c1cc(C=C2C(=S)N(c3c(Cl)cccc3Cl)c3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
IGF1R P08069 1/20 0.45
SIRT1 Q96EB6 1/20 0.40
CTRC Q99895 1/20 0.40
EEF2K O00418 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALOX5 P09917 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL8543090 0.87 EGFR (0.50) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8544740 0.77 EEF2K (0.43) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8539935 0.73 MAPT (0.57) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8540860 0.71 EEF2K (0.41) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL7370909 0.71 ERBB2 (0.57) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL7370906 0.71 ERBB2 (0.57) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8546141 0.70 EGFR (0.54) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8539170 0.70 CTRC (0.54) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8544253 0.68 ERBB2 (0.54) EGFRERBB2IGF1RSIRT1CTRC
SCHEMBL8542369 0.68 ERBB2 (0.48) EGFRERBB2IGF1RSIRT1CTRC

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-0580502-B1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR (FR) 1998-09-02 EP disclosed
US-5382593-A Antioxidants or anticoagulants ADIR ET COMPAGNIE (FR) 1995-01-17 US disclosed