SCHEMBL18048951

SCHEMBL18048951

N#Cc1ccc(NC(=O)c2cccnc2NCC2CCC(O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.50
▸ KDR P35968 8/20 0.46
▸ RET P07949 1/20 0.46
▸ MAP3K20 Q9NYL2 1/20 0.46
▸ RIPK3 Q9Y572 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ VNN1 O95497 1/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM5 P41594 1/20 0.42

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
SCHEMBL18070981 1.00 EGLN1 (0.50) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18049010 0.89 EGLN1 (0.52) EGLN1KDRVNN1MEN1MAPT
SCHEMBL18070983 0.89 EGLN1 (0.52) EGLN1KDRVNN1MEN1MAPT
SCHEMBL18049826 0.87 EGLN1 (0.51) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18070937 0.85 VNN1 (0.45) EGLN1RETVNN1KMT2AGAA
SCHEMBL18049004 0.85 VNN1 (0.45) EGLN1RETVNN1KMT2AGAA
SCHEMBL18070979 0.84 KDR (0.53) KDRVNN1MEN1MAPTKMT2A
SCHEMBL18048947 0.84 KDR (0.53) KDRVNN1MEN1MAPTKMT2A
SCHEMBL18070984 0.84 EGLN1 (0.48) EGLN1KDRRETMAP3K20RIPK3
SCHEMBL18070989 0.84 EGLN1 (0.48) EGLN1KDRRETMAP3K20RIPK3

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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