SCHEMBL13679577

SCHEMBL13679577

COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C(N)=O)ccc4[nH]3)c2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ MEN1 O00255 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAOB P27338 2/20 0.52
▸ FOXO1 Q12778 1/20 0.51
▸ MAOA P21397 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HPSE Q9Y251 2/20 0.48

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
SCHEMBL13679541 0.87 MAPT (0.59) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14615299 0.81 MAPT (0.66) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424127 0.81 MAPT (0.68) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679575 0.78 MAPT (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679552 0.77 MAPT (0.69) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL20145731 0.77 MAPT (0.63) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL12831265 0.77 MAPT (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14615282 0.77 MAPT (0.68) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679601 0.76 MAPT (0.82) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL5822835 0.75 MAPT (0.58) MAPTMEN1HTTKMT2AKDM4E

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
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
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