SCHEMBL13679623

SCHEMBL13679623

CN(C)c1ccc2[nH]c(-c3cc(NC(=O)c4cccnc4)ccc3Cl)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.75
▸ HTT P42858 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ MAPT P10636 4/20 0.54
▸ CSF1R P07333 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TP53 P04637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HDAC1 Q13547 1/20 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
SCHEMBL14642417 0.87 MEN1 (0.56) MEN1HTTKMT2AMAPTCSF1R
SCHEMBL15424141 0.86 MAPT (0.60) MEN1HTTKMT2AMAPTCSF1R
SCHEMBL12480897 0.86 MAPT (0.60) MEN1HTTKMT2AMAPTCSF1R
SCHEMBL13679714 0.86 MEN1 (0.85) MEN1HTTKMT2AMAPTNPC1
SCHEMBL14642412 0.86 MEN1 (1.00) MEN1HTTKMT2AMAPTNPC1
SCHEMBL15424145 0.85 MEN1 (0.53) MEN1HTTKMT2AMAPTTP53
SCHEMBL14642491 0.85 MEN1 (0.77) MEN1HTTKMT2AMAPTNPC1
SCHEMBL14642445 0.84 MEN1 (0.75) MEN1HTTKMT2AMAPTNPC1
SCHEMBL2157955 0.83 MAPT (0.65) MEN1HTTKMT2AMAPTTP53
SCHEMBL12481925 0.83 MAPT (0.65) MEN1HTTKMT2AMAPTNPC1

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 2 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
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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