SCHEMBL18049017

SCHEMBL18049017

N#Cc1cc(NC(=O)c2cccnc2NCC2CCC(O)CC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.47
▸ PRKCQ Q04759 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BDKRB1 P46663 4/20 0.42
▸ LDHA P00338 1/20 0.41
▸ CRHR1 P34998 1/20 0.41
▸ FLT3 P36888 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ GRM4 Q14833 1/20 0.39

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
SCHEMBL18070874 1.00 KDR (0.47) KDRPRKCQPRKCDRXFP1MEN1
SCHEMBL18070993 0.89 KDR (0.48) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18049023 0.86 KDR (0.46) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18070901 0.86 KDR (0.46) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18070900 0.86 KDR (0.46) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18070873 0.86 KDR (0.44) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18070979 0.83 KDR (0.53) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18048947 0.83 KDR (0.53) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL18048951 0.82 EGLN1 (0.50) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL18048948 0.82 KDR (0.63) KDRRXFP1MEN1ALDH1A1LMNA

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 claimed
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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