SCHEMBL18071004

SCHEMBL18071004

NC/C=C\C(Cl)=CC(=O)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ VNN1 O95497 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL18070912 0.78 KDM4E (0.47) PLAUMAPTKDM4ERPS6KB1AURKA
SCHEMBL15528783 0.74 KMT2A (0.56) MAPTKDM4ERPS6KB1AURKAALDH1A1
SCHEMBL15529175 0.73 MAPT (0.57) MAPTKDM4ERPS6KB1AURKAALDH1A1
SCHEMBL18048981 0.68 KDR (0.56) MAPTKDM4ERPS6KB1AURKAPDPK1
SCHEMBL18048969 0.67 VNN1 (0.51) PLAUMAPTKDM4EPDPK1ALDH1A1
SCHEMBL18070922 0.66 KDM4E (0.62) MAPTKDM4ERPS6KB1AURKAPDPK1
SCHEMBL18048963 0.65 L3MBTL1 (0.53) MAPTALDH1A1VNN1KMT2A
SCHEMBL26923596 0.65 CYP2C9 (0.49) KDM4EALDH1A1HPGDVNN1KMT2A
SCHEMBL18049798 0.65 VNN1 (0.46) MAPTALDH1A1HPGDVNN1KMT2A
SCHEMBL18048975 0.65 NAMPT (0.47) MAPTRPS6KB1AURKAPDPK1ALDH1A1

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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