SCHEMBL20141173

SCHEMBL20141173

N#Cc1ccc2cc[nH]c2c1N1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ AOC3 Q16853 4/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ GOT1 P17174 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20141639 0.83 GPR119 (0.43) LMNA
SCHEMBL20142178 0.80 KEAP1 (0.36) KEAP1GHSRBCHEGOT1LMNA
Trifluoroacetic Acid SCHEMBL20142184 0.80 IRAK4 (0.41) —
SCHEMBL20156815 0.80 ALDH1A1 (0.40) KMT2AKDM4E
SCHEMBL20141537 0.71 KEAP1 (0.47) KEAP1BCHEGOT1KDM4E
SCHEMBL20156813 0.71 MTOR (0.47) MEN1KMT2ATACR3KDM4E
SCHEMBL30359952 0.69 BRD4 (0.32) —
SCHEMBL6097862 0.69 KEAP1 (0.41) TP53KEAP1GHSRBCHEKDM4E
SCHEMBL5369598 0.67 GRM5 (0.60) L3MBTL1TP53TACR3GRM5
SCHEMBL1225685 0.67 ALDH1A1 (0.51) KMT2AGHSRLMNAKDM4E

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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