SCHEMBL18070909

SCHEMBL18070909

CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)c2cccnc2NCC2COC2)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.44
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ GRM4 Q14833 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CIT O14578 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ STK10 O94804 1/20 0.36

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
SCHEMBL18070908 0.87 KDR (0.49) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18071007 0.83 KDR (0.55) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070911 0.81 GRM4 (0.46) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL18070993 0.80 KDR (0.48) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048967 0.78 KDR (0.64) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070968 0.78 RXFP1 (0.64) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048954 0.76 KDR (0.65) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049845 0.76 KDR (0.48) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049021 0.75 KMT2A (0.60) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18048978 0.75 KDR (0.63) KDRMEN1MAPTKMT2AALDH1A1

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