SCHEMBL21152159

SCHEMBL21152159

c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(C4Nc5ccccc5S4)cc3)nc2-c2ccc(C3Nc4ccccc4S3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
IDO1 P14902 1/20 0.37
MECP2 P51608 2/20 0.37
MBD2 Q9UBB5 2/20 0.37
CYP3A4 P08684 1/20 0.35
ADORA1 P30542 7/20 0.34
ADORA2A P29274 5/20 0.34
NPC1 O15118 2/20 0.33
PSMB5 P28074 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL17117637 0.87 RAB9A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13068076 0.81 IDO1 (0.42) RAB9AIDO1MECP2MBD2ADORA1
SCHEMBL21399154 0.79 ADK (0.40) RAB9AIDO1ADORA1ADORA2ANPC1
SCHEMBL18308583 0.78 RAB9A (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL18308584 0.78 ADORA2A (0.34) RAB9AADORA1ADORA2AMEN1KMT2A
SCHEMBL18308488 0.78 MEN1 (0.32) RAB9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL434104 0.77 IDO1 (0.53) RAB9AIDO1CYP3A4NPC1MEN1
SCHEMBL18308513 0.76 IDO1 (0.42) RAB9AIDO1NPC1MEN1KMT2A
SCHEMBL23099279 0.75 RAB9A (0.33) RAB9AIDO1
SCHEMBL19310465 0.74 IDO1 (0.41) RAB9AIDO1MECP2MBD2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119767-B2 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRON BUFFERING MATERIAL ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2022-06-29 EP disclosed
EP-3119767-B1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-10 EP disclosed