SCHEMBL22901619

SCHEMBL22901619

COc1ccc(-c2ccc3cccc(OCc4cccc(OC)c4)c3n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 6/20 0.48
HTR1A P08908 4/20 0.48
DRD2 P14416 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MPO P05164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL22901624 0.90 MAPT (0.47) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901562 0.88 MAPT (0.50) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901618 0.87 MAPT (0.52) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901620 0.85 ABCB1 (0.48) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901623 0.85 MAPT (0.49) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901567 0.85 MAPT (0.51) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901575 0.84 MAPT (0.48) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901554 0.84 MAPT (0.51) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901622 0.83 MAPT (0.50) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901621 0.83 MAPT (0.47) MAPTHTTSMN1; SMN2ABCB1HTR1A

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