SCHEMBL21389060

SCHEMBL21389060

Cc1ccc(-c2nc(C)nc(C)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 6/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
ADORA2A P29274 2/20 0.37
HSP90AB1 P08238 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.36
HPGD P15428 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL21388971 0.91 HTR2A (0.38) TDP1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL21388967 0.83 MAPT (0.47) TDP1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL21388973 0.83 MAPT (0.47) TDP1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL21383377 0.83 NPC1 (0.40) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21388979 0.82 MAPT (0.46) TDP1KDM4EMAPTL3MBTL1MEN1
SCHEMBL21388981 0.80 ENPP3 (0.46) KDM4EMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL21388974 0.79 MAPT (0.47) TDP1KDM4EMAPTL3MBTL1MEN1
SCHEMBL21388997 0.79 MAPT (0.47) TDP1KDM4EMAPTL3MBTL1MEN1
SCHEMBL21389064 0.77 ESR1 (0.48) MEN1KMT2AMAPK1
SCHEMBL21388969 0.77 GAA (0.42) ALDH1A1HSP90AB1GAA

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-2019182400-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-09-26 WO disclosed