SCHEMBL4812979

SCHEMBL4812979

Nc1ccc2[nH]c(-c3cccc(-c4ccccn4)n3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.67
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
PKM P14618 4/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 2/20 0.67
HPGD P15428 2/20 0.67
MAPT P10636 2/20 0.67
TP53 P04637 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61
UBE2N P61088 1/20 0.61
METAP1 P53582 7/20 0.56
MTOR P42345 1/20 0.56

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
SCHEMBL8556415 0.92 METAP2 (0.78) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4814803 0.89 METAP2 (0.84) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4812921 0.89 GAA (0.76) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4812598 0.84 CBFB (0.67) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4811396 0.84 CBFB (0.67) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1664649 0.84 SMN1; SMN2 (0.63) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4808230 0.83 METAP2 (0.81) METAP2NPC1RAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4812284 0.81 METAP2 (0.79) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4805851 0.81 NPC1 (0.69) METAP2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4814508 0.81 CBFB (0.69) METAP2NPC1RAB9ALMNASMN1; SMN2

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