SCHEMBL22987231

SCHEMBL22987231

c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(-c5ccc(-c6nc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)nc(-c7ccc8sc9ccccc9c8c7)n6)cc5)ccc43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIMK1 P53667 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ROCK1 Q13464 1/20 0.31
CYP1A2 P05177 1/20 0.31
ATM Q13315 1/20 0.31
PDK2 Q15119 1/20 0.30
TRIM58 Q8NG06 1/20 0.30
F9 P00740 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 0.99 PIM3 (0.37) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23033044 0.99 PIM3 (0.37) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL22986981 0.97 MAPT (0.38) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23437475 0.96 PIM3 (0.39) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23437168 0.96 PIM3 (0.39) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23437719 0.94 PIM3 (0.39) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23437520 0.94 PIM3 (0.37) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23436981 0.94 PIM3 (0.37) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL23437136 0.94 PIM3 (0.37) PIM3MEN1KMT2AMAPTKDM4E
SCHEMBL22986978 0.93 MAPT (0.35) PIM3MEN1KMT2AMAPTKDM4E

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