SCHEMBL20570946

SCHEMBL20570946

Cc1ccc(Cc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KDM1A O60341 1/20 0.50
TLR8 Q9NR97 3/20 0.49
APP P05067 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.44
ADORA2A P29274 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL6242217 0.86 KDM4E (0.55) ALDH1A1KDM4EGAAHPGDTLR8
SCHEMBL17996024 0.84 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL982996 0.84 P2RX4 (0.43) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL30543763 0.81 NQO1 (0.48) ALDH1A1KDM4EGAAHPGDTLR8
Hydrochloric Acid SCHEMBL11804926 0.80 MAPT (0.54) ALDH1A1KDM4EGAAHPGDTLR8
SCHEMBL17423277 0.80 KDM4E (0.59) ALDH1A1KDM4EGAAHPGDTLR8
SCHEMBL14130585 0.80 KDM4E (0.61) ALDH1A1KDM4EGAAHPGDKDM1A
SCHEMBL13181729 0.79 LMNA (0.45) ALDH1A1KDM4EGAAHPGDTLR8
SCHEMBL8866398 0.79 CYP1A2 (0.48) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL17423228 0.79 KDM4E (0.48) ALDH1A1KDM4EGAAHPGDTLR8

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-2018217538-A1 SYNTHESIS OF SUBSTITUTED ACRIDINES UNIVERSITY OF ST. THOMAS (US) 2018-11-29 WO disclosed