SCHEMBL18049010

SCHEMBL18049010

N#Cc1cccc(NC(=O)c2cccnc2NCC2CCC(O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.52
▸ VNN1 O95497 1/20 0.52
▸ GRM4 Q14833 1/20 0.50
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PPIA P62937 1/20 0.45
▸ KDR P35968 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.44
▸ P2RX1 P51575 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18070983 1.00 EGLN1 (0.52) EGLN1VNN1GRM4HTTKMT2A
SCHEMBL18048951 0.89 EGLN1 (0.50) EGLN1VNN1HTTKMT2AKDR
SCHEMBL18070981 0.89 EGLN1 (0.50) EGLN1VNN1HTTKMT2AKDR
SCHEMBL18070985 0.87 VNN1 (0.53) EGLN1VNN1GRM4HTTKMT2A
SCHEMBL18049027 0.87 VNN1 (0.53) EGLN1VNN1GRM4HTTKMT2A
SCHEMBL18070979 0.86 KDR (0.53) VNN1HTTKMT2AKDRMEN1
SCHEMBL18048947 0.86 KDR (0.53) VNN1HTTKMT2AKDRMEN1
SCHEMBL18070944 0.85 EGLN1 (0.51) EGLN1GRM4HTTKMT2ATP53
SCHEMBL18070931 0.85 EGLN1 (0.51) EGLN1GRM4HTTKMT2ATP53
SCHEMBL18070982 0.85 EGLN1 (0.51) EGLN1GRM4HTTKMT2ATP53

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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