SCHEMBL4812846

SCHEMBL4812846

Cc1cc2nc(-c3cccc(-c4ccccn4)n3)[nH]c2cc1C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.84
METAP2 P50579 7/20 0.84
METAP1 P53582 6/20 0.84
NPC1 O15118 6/20 0.61
RAB9A P51151 5/20 0.61
PKM P14618 4/20 0.61
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 1/20 0.61
GUSB P08236 1/20 0.60
ADORA3 P0DMS8 1/20 0.59
HPGD P15428 2/20 0.54
MTOR P42345 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RUNX1 Q01196 1/20 0.53

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
SCHEMBL30692551 0.91 CBFB (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125187 0.91 CBFB (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4815533 0.83 CBFB (0.84) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4808230 0.81 METAP2 (0.81) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL25145069 0.81 CBFB (0.79) CBFBMETAP2METAP1NPC1RAB9A
Hydrochloric Acid SCHEMBL4812284 0.80 METAP2 (0.79) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4812344 0.80 CBFB (0.84) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4812598 0.80 CBFB (0.67) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4812979 0.80 METAP2 (0.67) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4811396 0.80 CBFB (0.67) CBFBMETAP2METAP1NPC1RAB9A

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
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US claimed