SCHEMBL6972274

SCHEMBL6972274

O=C(NCc1ccc(Cc2c[nH]cn2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC3 O15379 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
BTK Q06187 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HPGDS O60760 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL6973879 0.96 HDAC6 (0.54) HDAC6HDAC1HDAC3L3MBTL1KDM4E
SCHEMBL6961677 0.87 MEN1 (0.56) L3MBTL1POLBTSHREPHX2NAMPT
SCHEMBL6960067 0.87 MEN1 (0.56) L3MBTL1POLBTSHREPHX2NAMPT
SCHEMBL4759340 0.86 NPC1 (0.51) HDAC6HDAC1L3MBTL1KDM4EPOLB
SCHEMBL9028240 0.82 RAB9A (0.55) HDAC6L3MBTL1POLBTSHRHDAC2
SCHEMBL9028080 0.81 L3MBTL1 (0.39) HDAC6HDAC1L3MBTL1KDM4EPOLB
SCHEMBL9027973 0.78 IDO1 (0.52) L3MBTL1POLBNAMPT
SCHEMBL9081323 0.78 ALDH1A1 (0.37) HDAC6HDAC1HDAC3L3MBTL1POLB
SCHEMBL1300262 0.78 MAPT (0.52) HDAC6POLBEPHX2HDAC2HDAC8
SCHEMBL6972645 0.77 KMT2A (0.44) POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed