SCHEMBL22986981

SCHEMBL22986981

c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
PIM3 Q86V86 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
GPR3 P46089 1/20 0.32
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL23033055 0.98 PIM3 (0.37) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23033044 0.98 PIM3 (0.37) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22987231 0.97 PIM3 (0.36) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22986978 0.94 MAPT (0.35) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22987146 0.93 MEN1 (0.35) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22987049 0.93 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL21707828 0.92 MEN1 (0.35) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23963245 0.92 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23437475 0.92 PIM3 (0.39) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23437168 0.92 PIM3 (0.39) MAPTMEN1KMT2ASMN1; 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
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed