SCHEMBL20187629

SCHEMBL20187629

COc1cccc2c1C(=O)c1sc(C=O)cc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
ELANE P08246 7/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
TOP1 P11387 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
DUSP3 P51452 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20189173 0.80 MAPT (0.56) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL20187576 0.77 MEN1 (0.50) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL8947495 0.75 EGFR (0.73) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL10037460 0.74 MAOA (0.58) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL3417492 0.74 EGFR (0.76) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL8996341 0.73 EGFR (0.54) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL612831 0.72 MAPT (0.74) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL23199074 0.72 EGFR (0.59) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL7463978 0.71 MEN1 (0.53) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20187694 0.71 MEN1 (0.43) MEN1KMT2AEGFRPIM1ELANE

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
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO claimed