SCHEMBL13679601

SCHEMBL13679601

COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.82
▸ COMT P21964 1/20 0.70
▸ MEN1 O00255 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ TP53 P04637 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ LMNA P02545 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SMO Q99835 2/20 0.61

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
SCHEMBL1268279 0.92 MAPT (0.85) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14615298 0.90 MAPT (0.72) MAPTMEN1HTTKMT2ATP53
SCHEMBL13679618 0.89 MAPT (0.74) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424140 0.88 MEN1 (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15557757 0.87 MAPT (0.67) MAPTCOMTMEN1HTTKMT2A
SCHEMBL15558259 0.87 MEN1 (0.71) MAPTCOMTMEN1HTTKMT2A
SCHEMBL14642486 0.87 MAPT (0.74) MAPTMEN1HTTKMT2ATP53
SCHEMBL12831265 0.86 MAPT (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642442 0.85 MEN1 (0.79) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642440 0.85 MAPT (0.71) MAPTMEN1HTTKMT2ATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 — — 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
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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