SCHEMBL13679575

SCHEMBL13679575

COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(OC)ccc4[nH]3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.73
▸ MEN1 O00255 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ TP53 P04637 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ COMT P21964 1/20 0.49

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
SCHEMBL13679552 0.93 MAPT (0.69) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14615282 0.92 MAPT (0.68) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424127 0.91 MAPT (0.68) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL1268279 0.90 MAPT (0.85) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL2157955 0.90 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642415 0.88 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL20145731 0.88 MAPT (0.63) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424132 0.88 MAPT (0.58) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679580 0.87 MAPT (0.67) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424119 0.85 MAPT (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 — — US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
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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