SCHEMBL24778583

SCHEMBL24778583

CC(C)(C)c1ccc2scc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
KIF11 P52732 3/20 0.36
LRRK2 Q5S007 1/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 3/20 0.34
HTR1D P28221 2/20 0.34
ALOX5AP P20292 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL11408802 0.86 KDM4E (0.41) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL23478669 0.85 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL8039512 0.81 EPHX2 (0.41) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL29911070 0.79 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL2705716 0.79 KDM4E (0.46) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL21986185 0.79 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL25037436 0.79 CYP2A6 (0.56) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL32664393 0.78 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL10222444 0.75 KDM4E (0.59) KDM4ECYP2A6CA2
SCHEMBL8147097 0.75 CA2 (0.47) ALDH1A1MAPTALOX15HSD17B10TDP1

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-2022255634-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-12-08 WO disclosed