SCHEMBL21186155

SCHEMBL21186155

Cc1cc(-c2cnc(C(=O)Nc3nc4ccc(Oc5ccccc5)cc4s3)c(O)c2)cc2sc(NC(=O)c3ncccc3O)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KMT2A Q03164 5/20 0.46
PKM P14618 1/20 0.46
OPRK1 P41145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 2/20 0.45
SCD O00767 5/20 0.43
PIK3CA P42336 1/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL21186001 0.85 MAPT (0.67) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186281 0.79 MAPT (0.55) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186008 0.78 MAPT (0.57) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186273 0.78 MAPT (0.57) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186278 0.77 MAPT (0.55) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186162 0.77 MAPT (0.48) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21186198 0.76 NPC1 (0.49) MAPTPOLBLMNAKDM4EHTT
SCHEMBL21186178 0.76 RAB9A (0.72) MAPTPOLBKDM4EHPGDHTT
SCHEMBL21186205 0.76 SCD (0.64) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL21177804 0.76 MAPT (0.66) MAPTPOLBLMNAKDM4EHPGD

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed