SCHEMBL22987015

SCHEMBL22987015

c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.32
ALOX5 P09917 1/20 0.32
SLC9A1 P19634 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL23032781 0.97 PIM3 (0.35) PIM3ALOX5SLC9A1CYP1A2
SCHEMBL23032839 0.95 PIM3 (0.32) PIM3ALOX5
SCHEMBL23032842 0.94 PIM3 (0.34) PIM3
SCHEMBL19039157 0.94 PIM3 (0.33) PIM3ALOX5CYP1A2
SCHEMBL22987192 0.94 MAPT (0.32) ALOX5SLC9A1KDM4EMEN1LMNA
SCHEMBL22987012 0.94 PIM3 (0.33) PIM3ALOX5SLC9A1CYP1A2MEN1
SCHEMBL23963495 0.93 ALDH1A1 (0.32) ALOX5SLC9A1MAPTSMN1; SMN2
SCHEMBL23024904 0.92 ALOX5 (0.37) PIM3ALOX5
SCHEMBL24681871 0.92 ALOX5 (0.37) PIM3ALOX5
SCHEMBL23032721 0.92 ALDH1A1 (0.31) ALOX5SLC9A1MAPTSMN1; SMN2

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