SCHEMBL20650779

SCHEMBL20650779

Cc1ccc(N(I)c2cccc3c2sc2ccccc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
ALOX5 P09917 1/20 0.35
HCRTR1 O43613 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.34
PARP14 Q460N5 1/20 0.33
IDE P14735 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL20650281 0.87 GPR3 (0.39) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL21020590 0.85 MAPT (0.38) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20650819 0.83
SCHEMBL20650832 0.83 CYP1A2 (0.31) CYP1A2CYP2A6
SCHEMBL20650508 0.81 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL20649870 0.81 LMNA (0.32) MEN1KMT2ALMNA
SCHEMBL20650344 0.80 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20650247 0.80 NR1H2 (0.33)
SCHEMBL20650288 0.77 GPR3 (0.41) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20650287 0.75 GPR3 (0.42) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed