SCHEMBL22901581

SCHEMBL22901581

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 7/20 0.44
SLC6A4 P31645 1/20 0.43
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CSF1R P07333 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
GCK P35557 1/20 0.39
APP P05067 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
SCHEMBL22901550 0.94 SLC6A4 (0.47) MAPTHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL22901576 0.92 SLC6A4 (0.43) MAPTHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL22901565 0.91 MAPT (0.47) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901556 0.91 PDE4A (0.46) MAPTHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL22901554 0.87 MAPT (0.51) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901542 0.86 MAPT (0.47) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901552 0.86 MAPT (0.43) MAPTHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL22901579 0.84 MAPT (0.46) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901551 0.84 MAPT (0.46) MAPTHTTSMN1; SMN2MAOBABCB1
SCHEMBL22901549 0.83 MAPT (0.48) 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