SCHEMBL18070873

SCHEMBL18070873

N#Cc1cc(NC(=O)c2cccnc2NCC2CCC(=O)NC2)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 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
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ BDKRB1 P46663 2/20 0.38
▸ MALT1 Q9UDY8 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ LDHA P00338 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MAP3K20 Q9NYL2 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
SCHEMBL18049017 0.86 KDR (0.47) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18070874 0.86 KDR (0.47) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18070993 0.85 KDR (0.48) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18048968 0.84 KDR (0.58) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18049023 0.81 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18070901 0.81 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18070900 0.81 KDR (0.46) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18049838 0.79 KDR (0.52) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18049791 0.76 KDR (0.61) KDRRXFP1MEN1MAPTKMT2A
SCHEMBL18071012 0.75 KDR (0.48) KDRRXFP1MEN1MAPTKMT2A

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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