SCHEMBL22920822

SCHEMBL22920822

c1ccc(Nc2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3sc4ccccc4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
ATM Q13315 2/20 0.32
PDK2 Q15119 1/20 0.32
CYP3A4 P08684 2/20 0.31
RGS12 O14924 1/20 0.31
GMNN O75496 1/20 0.31

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
SCHEMBL24742436 0.85 MEN1 (0.35) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24883320 0.84 MEN1 (0.38) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23372978 0.81 PDK2 (0.35) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL23637503 0.81 MAPT (0.37) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL22662372 0.77 PDK2 (0.34) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL22920815 0.77 CDC25B (0.45) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL24156135 0.77 MEN1 (0.40) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24166424 0.77 PTGIR (0.43) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24882971 0.77 MEN1 (0.33) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21975172 0.75 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2KDM4E

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-2021015555-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-01-28 WO disclosed