SCHEMBL18070912

SCHEMBL18070912

O=C(Cl)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ VNN1 O95497 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PLAU P00749 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ USP10 Q14694 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ USP13 Q92995 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ HTT P42858 1/20 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
SCHEMBL15528783 0.87 KMT2A (0.56) KDM4EALDH1A1HPGDMAPTP4HTM
SCHEMBL15529175 0.83 MAPT (0.57) KDM4EALDH1A1HPGDMAPTP4HTM
SCHEMBL18070922 0.80 KDM4E (0.62) KDM4EALDH1A1MAPTKMT2ARPS6KB1
SCHEMBL18048981 0.79 KDR (0.56) KDM4EALDH1A1MAPTP4HTMVNN1
SCHEMBL18048969 0.79 VNN1 (0.51) KDM4EALDH1A1HPGDMAPTP4HTM
SCHEMBL18071004 0.78 PLAU (0.38) KDM4EALDH1A1HPGDMAPTP4HTM
SCHEMBL18048963 0.77 L3MBTL1 (0.53) ALDH1A1MAPTVNN1KMT2AL3MBTL1
SCHEMBL18049798 0.76 VNN1 (0.46) ALDH1A1HPGDMAPTVNN1KMT2A
SCHEMBL18048975 0.76 NAMPT (0.47) ALDH1A1MAPTP4HTMRPS6KB1AURKA
SCHEMBL18048998 0.76 ALDH1A1 (0.57) ALDH1A1RPS6KB1AURKAPDPK1

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-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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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