SCHEMBL17249963

SCHEMBL17249963

CNC1=C(Sc2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ HKDC1 Q2TB90 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ S100A4 P26447 4/20 0.55
▸ CDC25B P30305 7/20 0.54
▸ CDC25A P30304 6/20 0.54
▸ PTPN1 P18031 4/20 0.54
▸ MAP2K7 O14733 2/20 0.47
▸ MAPK1 P28482 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MITF O75030 2/20 0.41

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
SCHEMBL10502055 0.82 MAPT (0.70) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17250098 0.82 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17249970 0.81 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL11037676 0.78 MEN1 (0.55) MAPTMEN1KMT2AL3MBTL1NPSR1
SCHEMBL9713854 0.78 HKDC1 (0.65) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17249922 0.77 HKDC1 (0.50) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17249978 0.76 CDC25A (0.59) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17249972 0.74 S100A4 (0.45) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17250512 0.74 IDO1 (0.56) MAPTMEN1KMT2AL3MBTL1HKDC1
SCHEMBL17250100 0.74 HKDC1 (0.79) MAPTMEN1KMT2AL3MBTL1HKDC1

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
WO-2015172076-A1 NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-11-12 — — WO disclosed
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