SCHEMBL20187576

SCHEMBL20187576

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EGFR P00533 1/20 0.49
PIM1 P11309 1/20 0.49
ELANE P08246 5/20 0.48
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
TTR P02766 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ABCC4 O15439 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL20189021 0.83 KCNA3 (0.44) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20187694 0.82 MEN1 (0.43) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20188852 0.82 ELANE (0.47) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20187563 0.82 ALDH1A1 (0.56) MEN1KMT2AELANETTRALDH1A1
SCHEMBL20187629 0.77 MEN1 (0.48) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL5924634 0.76 L3MBTL1 (0.50) ALDH1A1LMNAKDM4EHPGDMAPK1
SCHEMBL20187695 0.75 MAPT (0.47) MEN1KMT2AEGFRPIM1ALDH1A1
SCHEMBL8947495 0.74 EGFR (0.73) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL8996312 0.74 TTR (0.71) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL16226338 0.74 MEN1 (0.72) 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