SCHEMBL12489686

SCHEMBL12489686

c1ccc(-c2ccc3c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6O7)n5)cc4c4ccccc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
TGFBR1 P36897 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12487375 0.95 RAB9A (0.33) MEN1RAB9AKMT2APIM1PIM3
SCHEMBL12489685 0.90 PLA2G2A (0.35) MEN1KMT2AKDM4EGPR84PLA2G2A
SCHEMBL12488555 0.90 PLA2G2A (0.35) MEN1KMT2AKDM4EGPR84PLA2G2A
SCHEMBL12488662 0.88 MEN1 (0.31) MEN1KMT2A
SCHEMBL12489816 0.87 PLA2G2A (0.34) MEN1KMT2AKDM4EGPR84PLA2G2A
SCHEMBL12490399 0.87 PLA2G2A (0.34) PLA2G2APLA2G4A
SCHEMBL18961039 0.87 PLA2G2A (0.31) GPR84PLA2G2APLA2G4A
SCHEMBL12489627 0.86 PRKDC (0.38) MEN1RAB9AKMT2APIM1PIM3
SCHEMBL12489575 0.86 PLA2G2A (0.33) MEN1RAB9AKMT2AKDM4ENPC1
SCHEMBL12489998 0.86 HSD17B1 (0.38)

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-2011081451-A2 TRI-PHENYL COMPOUNDS AND ORGANIC ELECTRO-LUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 WO disclosed