SCHEMBL20187694

SCHEMBL20187694

COc1cccc2c1C(=O)c1sc(C(=O)c3ccc(Cl)cc3)cc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
ELANE P08246 6/20 0.42
TTR P02766 3/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC4 O15439 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM2 P08172 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL20187576 0.82 MEN1 (0.50) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL5999780 0.75 MAPT (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6000957 0.75 MAPT (0.48) MEN1KMT2APOLBCNR1MAPT
SCHEMBL20189021 0.74 KCNA3 (0.44) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20188852 0.73 ELANE (0.47) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL20187629 0.71 MEN1 (0.48) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL29339249 0.70 EGFR (0.55) MEN1KMT2AEGFRPIM1ELANE
SCHEMBL6001534 0.70 MAPK14 (0.48) MEN1KMT2ATTRMAPTHPGD
SCHEMBL6001053 0.69 DYRK1A (0.47) MEN1KMT2ATTRMAPTHPGD
SCHEMBL20187695 0.69 MAPT (0.47) MEN1KMT2AEGFRPIM1POLB

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