SCHEMBL4815533

SCHEMBL4815533

Fc1cc2nc(-c3cccc(-c4ccccn4)n3)[nH]c2cc1F

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.84
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
PKM P14618 4/20 0.61
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 1/20 0.61
METAP2 P50579 8/20 0.60
METAP1 P53582 6/20 0.60
HPGD P15428 3/20 0.54
MTOR P42345 1/20 0.54
TP53 P04637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 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
SCHEMBL124228 0.91 CBFB (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL4812598 0.85 CBFB (0.67) CBFBNPC1RAB9APKMLMNA
SCHEMBL4812344 0.85 CBFB (0.84) CBFBNPC1RAB9APKMLMNA
SCHEMBL4812846 0.83 CBFB (0.84) CBFBNPC1RAB9APKMLMNA
SCHEMBL4808230 0.81 METAP2 (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL25145069 0.81 CBFB (0.79) CBFBNPC1RAB9APKMLMNA
Hydrochloric Acid SCHEMBL4812284 0.80 METAP2 (0.79) CBFBNPC1RAB9APKMLMNA
SCHEMBL4812979 0.80 METAP2 (0.67) CBFBNPC1RAB9APKMLMNA
SCHEMBL4811396 0.80 CBFB (0.67) CBFBNPC1RAB9APKMLMNA
SCHEMBL4814803 0.80 METAP2 (0.84) CBFBNPC1RAB9APKMLMNA

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