SCHEMBL22901565

SCHEMBL22901565

COc1cccc(COc2cc(C)cc3ccc(-c4ncc(C)cn4)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 7/20 0.47
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
ABCB1 P08183 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
GCK P35557 1/20 0.40
APP P05067 1/20 0.40
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL22901542 0.96 MAPT (0.47) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901579 0.94 MAPT (0.46) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901577 0.93 MAOB (0.46) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901549 0.92 MAPT (0.48) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901581 0.91 MAPT (0.45) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901571 0.90 MAPT (0.48) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901554 0.90 MAPT (0.51) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901551 0.87 MAPT (0.46) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901548 0.86 MAPT (0.45) MAPTHTTSMN1; SMN2MAOBHTR1A
SCHEMBL22901563 0.85 MAOB (0.49) MAPTHTTSMN1; SMN2MAOBHTR1A

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
WO-2021008588-A1 CLASS OF PYRIMIDINE QUINOLINE DERIVATIVES AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广州新民培林医药科技有限公司 2021-01-21 WO disclosed