SCHEMBL22901554

SCHEMBL22901554

COc1cccc(COc2cccc3ccc(-c4ncc(C)cn4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ABCB1 P08183 5/20 0.46
HTR1A P08908 4/20 0.46
DRD2 P14416 3/20 0.46
MAOB P27338 2/20 0.45
GCK P35557 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MCHR1 Q99705 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41

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
SCHEMBL22901562 0.93 MAPT (0.50) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901575 0.91 MAPT (0.48) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901572 0.90 MEN1 (0.48) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901565 0.90 MAPT (0.47) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901567 0.90 MAPT (0.51) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901583 0.88 MAPT (0.52) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901581 0.87 MAPT (0.45) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901522 0.86 MAPT (0.56) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22901542 0.86 MAPT (0.47) MAPTHTTSMN1; SMN2ABCB1HTR1A
SCHEMBL22901619 0.84 MAPT (0.50) MAPTHTTSMN1; SMN2MEN1KMT2A

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