SCHEMBL16554367

SCHEMBL16554367

O=C(O)C1C=Cc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
MAPT P10636 5/20 0.39
ALOX15 P16050 2/20 0.39
HBB P68871 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
BCHE P06276 1/20 0.38
PTPRC P08575 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL6215765 0.85 MAPT (0.39) MAPTALOX15HBBHTTMEN1
SCHEMBL9118319 0.81 KMT2A (0.34) EDNRBEDNRAMAPTALOX15HBB
SCHEMBL2979979 0.79 MEN1 (0.42) MAPTALOX15HBBHTTMEN1
SCHEMBL10422643 0.77 MEN1 (0.32) EDNRBEDNRAMAPTALOX15MEN1
SCHEMBL28075589 0.77 MEN1 (0.35) EDNRBEDNRAMAPTALOX15MEN1
SCHEMBL2403993 0.76 ALDH1A1 (0.33) MAPTALOX15HTTMEN1KMT2A
SCHEMBL2406293 0.76 CA12 (0.36) EDNRBEDNRAMAPTALOX15HTT
SCHEMBL2202782 0.76 TTR (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8523526 0.75 CYP2D6 (0.42) MAPTALOX15HBBHTTMEN1
SCHEMBL29401941 0.75 EDNRA (0.39) EDNRBEDNRAMEN1KMT2AALDH1A1

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-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 WO disclosed