SCHEMBL4318387

SCHEMBL4318387

NC(=O)Oc1cccc(-c2cn[nH]n2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
IDO1 P14902 9/20 0.51
KEAP1 Q14145 1/20 0.47
SIRT3 Q9NTG7 1/20 0.46
XDH P47989 1/20 0.44
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40

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
SCHEMBL28741907 0.80 METAP2 (0.63) METAP2IDO1KEAP1SIRT3XDH
SCHEMBL29626795 0.80 METAP2 (0.63) METAP2IDO1KEAP1SIRT3XDH
SCHEMBL28741748 0.74 IDO1 (0.58) METAP2IDO1KEAP1SIRT3XDH
SCHEMBL30545116 0.73 MEN1 (0.70) MEN1KMT2A
SCHEMBL22557901 0.73 MEN1 (0.70) MEN1KMT2A
SCHEMBL4326155 0.72 KMT2A (0.54) MEN1KMT2AKDM4E
SCHEMBL5004755 0.72 METAP2 (1.00) METAP2MEN1KMT2AIDO1KEAP1
SCHEMBL4328141 0.71 KMT2A (0.53) MEN1KMT2AKEAP1KDM4E
SCHEMBL4456350 0.70 XDH (0.62) METAP2KMT2AIDO1KEAP1SIRT3
SCHEMBL28764573 0.70 MEN1 (0.54) MEN1KMT2A

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed