SCHEMBL18070935

SCHEMBL18070935

O=C(Nc1ccc(OCC2CC2)cc1)c1cccnc1NCC1COC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ GRM4 Q14833 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL18049826 0.86 EGLN1 (0.51) KDRMEN1KMT2AMAPTGAA
SCHEMBL18048954 0.85 KDR (0.65) KDRMEN1KMT2AMAPTGAA
SCHEMBL18049021 0.84 KMT2A (0.60) KDRMEN1KMT2AMAPTGAA
SCHEMBL18048936 0.84 KDR (0.61) KDRMEN1KMT2AMAPTGAA
SCHEMBL18070938 0.83 MEN1 (0.50) KDRMEN1KMT2AMAPTGAA
SCHEMBL18048967 0.82 KDR (0.64) KDRMEN1KMT2AMAPTGAA
SCHEMBL18048978 0.80 KDR (0.63) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL15528863 0.79 KDM4E (0.57) KDRMEN1KMT2AMAPTGAA
SCHEMBL18070933 0.79 ALDH1A1 (0.56) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL18070899 0.78 KDR (0.63) KDRMEN1KMT2AMAPTALDH1A1

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
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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