SCHEMBL17065802

SCHEMBL17065802

Nc1ccccc1-n1c(-c2ccccc2Br)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
PDE10A Q9Y233 1/20 0.45
TSHR P16473 3/20 0.41
RECQL P46063 1/20 0.41
RPS6KB1 P23443 3/20 0.40
ROCK1 Q13464 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGS2 P35354 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9718860 0.88 RAB9A (0.53) RAB9AKMT2AMEN1TSHRRECQL
SCHEMBL356492 0.79 RECQL (0.62) RAB9AKMT2AMEN1PDE10ATSHR
SCHEMBL29521808 0.79 RECQL (0.62) RAB9AKMT2AMEN1PDE10ATSHR
SCHEMBL24164250 0.79 NOS2 (0.46) RAB9AKMT2AMEN1TSHRHTT
SCHEMBL17065805 0.78 RAB9A (0.46) RAB9AKMT2AMEN1RECQLHTT
SCHEMBL29466052 0.75 GSR (0.50) RAB9AKMT2AMEN1PDE10ATSHR
SCHEMBL28694909 0.75 GSR (0.50) RAB9AKMT2AMEN1PDE10ATSHR
SCHEMBL25225465 0.75 RAB9A (0.64) RAB9AKMT2ATSHRRECQLRPS6KB1
SCHEMBL21185764 0.73 ESR1 (0.55) RAB9ATSHRHTTKDM4EGAA
SCHEMBL22577521 0.72 IDO1 (0.49) RAB9AKMT2AMEN1TSHRHTT

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
WO-2015133804-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed
WO-2015133804-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed