SCHEMBL22901574

SCHEMBL22901574

COc1cccc(COc2cc(F)cc3ccc(-c4ncc(O)cn4)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
SLC2A1 P11166 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A4 P14672 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 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
SCHEMBL22901563 0.94 MAOB (0.49) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901582 0.92 MAPT (0.45) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901555 0.90 MAOB (0.50) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901579 0.90 MAPT (0.46) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901576 0.89 SLC6A4 (0.43) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901575 0.88 MAPT (0.48) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901577 0.87 MAOB (0.46) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901578 0.86 MAOB (0.48) MAOBMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL22901572 0.85 MEN1 (0.48) MAOBMAPTHTTSMN1; SMN2ABCB1
SCHEMBL22901551 0.85 MAPT (0.46) MAOBMAPTHTTSMN1; SMN2MRGPRX4

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