SCHEMBL18073539

SCHEMBL18073539

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.76
▸ MEN1 O00255 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ PDPK1 O15530 1/20 0.54
▸ EGLN1 Q9GZT9 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL3122487 0.91 RXFP1 (0.71) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049824 0.89 KDR (0.84) KDRPDPK1EGLN1
SCHEMBL15528901 0.88 KDR (0.87) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049775 0.86 KDR (0.70) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL427743 0.86 KDR (1.00) KDR
SCHEMBL18048949 0.84 KDR (0.84) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL6104276 0.82 KDR (0.69) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL3106390 0.82 KDR (0.70) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049765 0.81 KDR (0.72) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL3109871 0.81 RXFP1 (0.81) 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 1 patent. 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
Send feedback