SCHEMBL3120660

SCHEMBL3120660

CCOc1ccc2c(c1)CN(C(=O)CN1C(=O)COc3cc(Br)cnc31)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
PLA2G1B P04054 1/20 0.38
PKM P14618 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3249745 0.92 GAA (0.49) GAATSHRKMT2AMAPTTDP1
SCHEMBL3237347 0.89 GAA (0.48) GAATSHRMAPTTDP1SMN1; SMN2
SCHEMBL3126815 0.88 GAA (0.51) GAATSHRKMT2AMAPTTDP1
SCHEMBL3119103 0.85 GAA (0.42) GAATSHRKMT2ASMN1; SMN2MEN1
SCHEMBL3241489 0.81 TSHR (0.46) GAATSHRKMT2AMAPTTDP1
SCHEMBL13521588 0.80 TSHR (0.52) GAATSHRKMT2AMAPTMEN1
SCHEMBL3252753 0.80 TSHR (0.44) GAATSHRKMT2AMAPTTDP1
SCHEMBL3248197 0.80 TSHR (0.46) GAATSHRKMT2AMAPTTDP1
SCHEMBL13521713 0.80 TSHR (0.44) GAATSHRKMT2AMAPTTDP1
SCHEMBL3240895 0.79 TAAR1 (0.43) GAATSHRKMT2AMAPTTDP1

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed