SCHEMBL22873005

SCHEMBL22873005

COc1ccc2c3ccccc3n(CC=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
P2RX4 Q99571 1/20 0.47
PTGER4 P35408 2/20 0.45
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
DYRK1A Q13627 1/20 0.43
POLB P06746 1/20 0.43
HCRTR1 O43613 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
SCHEMBL23148493 0.81 GRIK2 (0.56) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL13456337 0.80 CYP1A2 (0.56) ALDH1A1KDM4EP2RX4PTGER4
SCHEMBL8867584 0.80 KDM4E (0.53) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL28948755 0.79 DYRK1A (0.58) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL5186838 0.78 KDM4E (0.66) KDM4EPSEN1PSEN2APH1BNCSTN
Diethylamine SCHEMBL15832827 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL5185105 0.78 TSPO (0.49) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL3400464 0.78 PSEN1 (0.41) KDM4EMEN1KMT2APSEN1PSEN2
SCHEMBL2794274 0.78 HPGD (0.49) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL2796905 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1HPGD

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-2021004391-A1 C-MYC PROTEIN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州开拓药业股份有限公司 2021-01-14 WO disclosed