SCHEMBL3244932

SCHEMBL3244932

COc1ccc2c(c1)CN(C(=O)CN1C(=O)COc3cc(-c4cc(Cl)ccn4)cnc31)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 4/20 0.39
PORCN Q9H237 1/20 0.39
ABCB1 P08183 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
ESR2 Q92731 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL13521582 0.94 ALOX15 (0.38) TSHRGAAMAPK1ALDH1A1KDM4E
SCHEMBL13521636 0.93 TSHR (0.50) TSHRGAAMAPK1PORCNABCB1
SCHEMBL3241489 0.89 TSHR (0.46) TSHRGAAMAPK1PORCNABCB1
SCHEMBL3248197 0.89 TSHR (0.46) TSHRGAAMAPK1ABCB1TAAR1
SCHEMBL13521713 0.89 TSHR (0.44) TSHRGAAMAPK1PORCNABCB1
SCHEMBL3252753 0.88 TSHR (0.44) TSHRGAAMAPK1PORCNABCB1
SCHEMBL3246979 0.88 PORCN (0.40) TSHRMAPK1PORCNABCB1TAAR1
SCHEMBL13521711 0.88 TSHR (0.44) TSHRGAAMAPK1ABCB1TAAR1
SCHEMBL3254471 0.86 TSHR (0.46) TSHRGAAMAPK1ABCB1TAAR1
SCHEMBL13521638 0.86 TSHR (0.43) TSHRGAAALDH1A1POLBMEN1

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