SCHEMBL16705377

SCHEMBL16705377

Bc1cccc2nc(OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
BCL2L11 O43521 1/20 0.39
BCL2L1 Q07817 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL827877 0.81 LMNA (0.49) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL29375415 0.79 BACE1 (0.55) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL2191375 0.79 BACE1 (0.55) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL3532637 0.79 HTR3A (0.46) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL9184397 0.79 KDM4E (0.42) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL31179390 0.79 HTR3A (0.46) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL18379257 0.78 BCL2L11 (0.43) POLBKDM4EHPGDALDH1A1BCL2L11
SCHEMBL18368398 0.77 BCL2L1 (0.56) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL160602 0.73 BTK (0.47) POLBKDM4EHPGDALDH1A1KMT2A
SCHEMBL4822352 0.73 ALDH1A1 (0.65) POLBALDH1A1L3MBTL1TDP1NPC1

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
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed