SCHEMBL28333322

SCHEMBL28333322

O=C(Nc1ccccc1Br)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.54
P2RX7 Q99572 7/20 0.54
P2RX4 Q99571 4/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
P2RX5 Q93086 1/20 0.51
P2RX2 Q9UBL9 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HPGD P15428 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL14859029 0.85 CNR2 (0.59) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11822463 0.81 P2RX7 (0.74) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL993395 0.80 CNR2 (0.63) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14503273 0.79 SMN1; SMN2 (0.66) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14503268 0.78 EPHX2 (0.67) CNR2MEN1KMT2ANPSR1P2RX7
SCHEMBL7705995 0.77 P2RX7 (0.71) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2348189 0.77 SMN1; SMN2 (0.63) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8563855 0.77 SIGMAR1 (0.62) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29158791 0.74 SMN1; SMN2 (0.62) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7661009 0.74 CNR2 (0.55) CNR2MEN1KMT2ANPSR1SMN1; 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
CN-110407766-A 2- substituted-phenyl -3- (1- adamantane formamido) -4- thiazoline ketone compounds and its synthetic method and application UNIV ZHEJIANG TECHNOLOGY 2019-11-05 CN disclosed