SCHEMBL17306394

SCHEMBL17306394

c1ccc(-c2n[nH]c3c2ccc2ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
MAPK10 P53779 2/20 0.53
ALPL P05186 1/20 0.53
IDO1 P14902 1/20 0.53
TTK P33981 1/20 0.53
MAPT P10636 3/20 0.50
CSF1R P07333 3/20 0.50
FLT3 P36888 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX15 P16050 1/20 0.47
NPC1 O15118 3/20 0.46

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
SCHEMBL17306987 0.82 BCHE (0.44) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL29116723 0.77 CHEK1 (0.53) ALDH1A1KDM4EGAAHPGDCSF1R
SCHEMBL17367229 0.76 KDM4E (0.61) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL32662859 0.76 NPSR1 (0.62) ALDH1A1KDM4EGAAHPGDMAPK10
SCHEMBL18122029 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHPGDMAPK10
SCHEMBL11841801 0.76 KIF11 (0.44) ALDH1A1KDM4EHPGDIDO1KMT2A
SCHEMBL17306424 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EGAAHPGDMAPK10
SCHEMBL18121538 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDMAPK10
SCHEMBL3186470 0.74 CSNK2A2 (0.49) ALDH1A1KDM4EHPGDMAPTFLT3
SCHEMBL4717637 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDMAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP disclosed
WO-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 WO disclosed