SCHEMBL22901571

SCHEMBL22901571

COc1cccc(COc2cc(C)cc3ccc(-c4nc(C)cc(C)n4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 7/20 0.48
FFAR1 O14842 1/20 0.46
ABCB1 P08183 2/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
GCK P35557 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL22901548 0.92 MAPT (0.45) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901578 0.91 MAOB (0.48) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901549 0.91 MAPT (0.48) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901565 0.90 MAPT (0.47) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901542 0.90 MAPT (0.47) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901583 0.90 MAPT (0.52) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901579 0.88 MAPT (0.46) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901577 0.87 MAOB (0.46) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901607 0.83 MEN1 (0.38) MAPTHTTSMN1; SMN2MAOBFFAR1
SCHEMBL22901588 0.83 MAOB (0.51) MAPTHTTSMN1; SMN2MAOBABCB1

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