SCHEMBL18071043

SCHEMBL18071043

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccon1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.69
▸ EGLN1 Q9GZT9 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL15528901 0.82 KDR (0.87) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL427743 0.82 KDR (1.00) KDRABCB1
SCHEMBL18049824 0.80 KDR (0.84) KDREGLN1ABCB1PDPK1
SCHEMBL18048949 0.80 KDR (0.84) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049765 0.79 KDR (0.72) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070996 0.78 KDR (0.71) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070966 0.78 KDR (0.71) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18073539 0.78 KDR (0.76) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18071042 0.78 KDR (0.69) KDREGLN1MEN1MAPTKMT2A
SCHEMBL1657402 0.77 KDR (0.62) KDRMEN1MAPTKMT2AL3MBTL1

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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