SCHEMBL23027550

SCHEMBL23027550

c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.40
F9 P00740 1/20 0.37
ALOX5 P09917 1/20 0.37
GPR3 P46089 1/20 0.37
CYP1A2 P05177 1/20 0.36
SLC9A1 P19634 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
LIMK1 P53667 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34

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
SCHEMBL23027543 0.99 PIM3 (0.41) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027552 0.99 PIM3 (0.41) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027532 0.97 PIM3 (0.42) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027600 0.97 PIM3 (0.42) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027557 0.97 PIM3 (0.42) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL21563848 0.97 PIM3 (0.41) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027563 0.96 PIM3 (0.40) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027629 0.95 PIM3 (0.39) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL23027489 0.95 PIM3 (0.44) PIM3F9ALOX5GPR3CYP1A2
SCHEMBL21148570 0.94 PIM3 (0.36) PIM3F9ALOX5GPR3CYP1A2

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-2021033731-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed