SCHEMBL18070931

SCHEMBL18070931

N#Cc1cccc(NC(=O)c2cccnc2NC[C@@H]2CCCC[C@H]2O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.51
▸ GRM4 Q14833 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 1/20 0.44
▸ PPIA P62937 1/20 0.44
▸ KDR P35968 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ P2RX1 P51575 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
SCHEMBL18048974 1.00 EGLN1 (0.51) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070950 1.00 EGLN1 (0.51) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070944 0.98 EGLN1 (0.51) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070982 0.98 EGLN1 (0.51) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070932 0.90 KDR (0.49) EGLN1KMT2AHTTL3MBTL1KDR
SCHEMBL18070997 0.90 KDR (0.49) EGLN1KMT2AHTTL3MBTL1KDR
SCHEMBL18070897 0.88 KMT2A (0.47) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070999 0.88 KMT2A (0.47) EGLN1GRM4KMT2AHTTTSHR
SCHEMBL18070984 0.88 EGLN1 (0.48) EGLN1KMT2AHTTL3MBTL1KDR
SCHEMBL18070989 0.88 EGLN1 (0.48) EGLN1KMT2AHTTL3MBTL1KDR

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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