SCHEMBL23032804

SCHEMBL23032804

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)nc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKDC P78527 2/20 0.32
LIMK1 P53667 2/20 0.31
PARP14 Q460N5 1/20 0.31
PIM3 Q86V86 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL23032709 1.00 ALOX5 (0.41) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032745 0.98 ALOX5 (0.43) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032716 0.97 ALOX5 (0.44) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032807 0.95 ALOX5 (0.41) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032932 0.94 ALOX5 (0.41) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032715 0.94 ALOX5 (0.41) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23437809 0.94 ALOX5 (0.44) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23032797 0.93 ALOX5 (0.41) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL24681592 0.93 ALOX5 (0.38) ALOX5KDM4EMEN1LMNAMAPT
SCHEMBL23033011 0.93 ALOX5 (0.45) ALOX5KDM4EMEN1LMNAMAPT

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-2021033730-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed