SCHEMBL13679543

SCHEMBL13679543

Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ MEN1 O00255 2/20 0.79
▸ NPSR1 Q6W5P4 2/20 0.79
▸ IRAK4 Q9NWZ3 2/20 0.70
▸ CYP1A2 P05177 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ TP53 P04637 3/20 0.65
▸ RECQL P46063 2/20 0.65
▸ BLM P54132 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ DUSP3 P51452 1/20 0.65

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
SCHEMBL13679550 0.85 MAPT (0.70) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL14615293 0.85 MAPT (0.72) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL13679553 0.84 MAPT (0.71) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL3690267 0.83 MMP2 (0.63) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL14615292 0.82 MAPT (0.69) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL16782299 0.80 MAPT (1.00) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL14615280 0.80 IRAK4 (0.66) MAPTALDH1A1KMT2AMEN1IRAK4
SCHEMBL14615274 0.79 MAPT (0.80) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL25956571 0.78 IRAK4 (0.81) MAPTALDH1A1KMT2AMEN1IRAK4
SCHEMBL14615278 0.77 MAPT (1.00) MAPTALDH1A1KMT2AMEN1NPSR1

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-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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