SCHEMBL9354579

SCHEMBL9354579

Nc1cc(N2CCCC2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.56
▸ MAPK1 P28482 6/20 0.56
▸ L3MBTL1 Q9Y468 6/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ EGFR P00533 2/20 0.56
▸ RAF1 P04049 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MAP2K1 Q02750 1/20 0.56
▸ KMT2A Q03164 8/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ THRB P10828 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MCL1 Q07820 2/20 0.50
▸ GRK6 P43250 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MAOA P21397 2/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ CSNK1A1 P48729 2/20 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
SCHEMBL9921188 0.84 MAPT (0.52) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL2462677 0.79 MAPT (0.54) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL2463193 0.72 MAPT (1.00) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL3273424 0.71 MAPT (0.97) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL2464584 0.71 L3MBTL1 (0.74) MAPTMAPK1L3MBTL1ALDH1A1EGFR
SCHEMBL10813018 0.70 CYP1A1 (0.70) MAPTMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL7769609 0.70 ADORA2A (0.62) MAPTMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL8983801 0.70 MEN1 (0.63) MAPTMAPK1L3MBTL1ALDH1A1ALOX12
SCHEMBL11672943 0.70 ADORA2A (0.59) MAPTMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL10808664 0.70 MEN1 (0.62) MAPTMAPK1L3MBTL1ALDH1A1KMT2A

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
EP-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 — — EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 — — EP disclosed
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