SCHEMBL27442437

SCHEMBL27442437

CC(=O)Nc1nccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
S100A4 P26447 2/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 2/20 0.35
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL513873 0.82 P2RX7 (0.33) LMNAHTTKDM4EPKM
SCHEMBL9523842 0.79 NPC1 (0.42) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL7013482 0.69
SCHEMBL2491687 0.68 LMNA (0.63) L3MBTL1MEN1KMT2ALMNAHTT
SCHEMBL11316710 0.67 HSD17B10 (0.45) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2469218 0.66 HSD17B10 (0.39) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13503081 0.64 KMT2A (0.36) L3MBTL1MEN1KMT2AHTTALDH1A1
SCHEMBL10954053 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3881120 0.63
SCHEMBL6566994 0.63

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138546-C Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine ʷ��˿�������ȳ�ķ���޹�˾ 2004-02-18 CN disclosed
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN disclosed
CN-1177299-A Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine SMITHKLINE BEECHAM CORP (US) 1998-03-25 CN disclosed