SCHEMBL18070877

SCHEMBL18070877

O=C1CCC(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)N1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.59
▸ EGLN1 Q9GZT9 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPV1 Q8NER1 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
SCHEMBL18048968 0.86 KDR (0.58) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18048932 0.83 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070872 0.82 KDR (0.58) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18071026 0.82 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070910 0.82 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18049014 0.81 KDR (0.64) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070919 0.81 KDR (0.63) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070971 0.81 KDR (0.63) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18048948 0.81 KDR (0.63) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18071003 0.80 KDR (0.66) KDREGLN1MEN1MAPTKMT2A

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-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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