SCHEMBL9541902

SCHEMBL9541902

COc1cc(OC)c(-c2cc(-c3ccco3)nc(-c3ccco3)c2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
ADORA1 P30542 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
PTPN7 P35236 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL9370414 0.83 CYP1A1 (0.51) ADORA2AADORA1MEN1KMT2ARAB9A
SCHEMBL7862565 0.78 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14805204 0.75 ADORA2A (0.49) ADORA2AADORA1MEN1KMT2ARAB9A
SCHEMBL2385998 0.72 ALDH1A1 (0.53) ADORA2AADORA1MEN1KMT2ARAB9A
SCHEMBL8549227 0.70 MYC (0.70) ADORA2AADORA1MEN1KMT2ARAB9A
SCHEMBL3685709 0.69 CYP3A4 (0.54) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL8544552 0.69 TSHR (0.68) ADORA2AADORA1MEN1KMT2ARAB9A
SCHEMBL14805206 0.68 MYC (0.59) ADORA2AADORA1MCL1PIK3R1PIK3CA
SCHEMBL17924581 0.67 SMN1; SMN2 (0.54) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL18807015 0.67 PDE10A (0.45) ADORA2AADORA1MEN1KMT2ARAB9A

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-1993011433-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1993-06-10 WO disclosed