SCHEMBL6973879

SCHEMBL6973879

O=C(NCc1ccccc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC1 Q13547 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AKT1 P31749 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51

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
SCHEMBL6972274 0.96 HDAC6 (0.55) HDAC6HDAC2HDAC8HDAC1L3MBTL1
SCHEMBL6960067 0.89 MEN1 (0.56) L3MBTL1POLBTSHRHPGDLMNA
SCHEMBL6961677 0.89 MEN1 (0.56) L3MBTL1POLBTSHRHPGDLMNA
SCHEMBL9028080 0.85 L3MBTL1 (0.39) HDAC6HDAC2HDAC8HDAC1L3MBTL1
SCHEMBL4759340 0.82 NPC1 (0.51) HDAC6HDAC2HDAC8HDAC1L3MBTL1
SCHEMBL9027973 0.82 IDO1 (0.52) L3MBTL1POLBRAB9A
SCHEMBL9028240 0.81 RAB9A (0.55) HDAC6HDAC2HDAC8L3MBTL1POLB
SCHEMBL9081323 0.80 ALDH1A1 (0.37) HDAC6HDAC2HDAC8HDAC1L3MBTL1
SCHEMBL6972645 0.79 KMT2A (0.44) POLBTSHRLMNARAB9ACA2
SCHEMBL649075 0.78 ALDH1A1 (0.46) L3MBTL1POLBTSHRLMNARAB9A

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
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