SCHEMBL6831093

SCHEMBL6831093

COc1cccc(-c2ccccn2)c1.[Ir]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PKM P14618 1/20 0.63
GRM5 P41594 1/20 0.63
TGFBR1 P36897 1/20 0.59
TOP1 P11387 1/20 0.56
CYP19A1 P11511 1/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
DCTPP1 Q9H773 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ABL1 P00519 1/20 0.53

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
SCHEMBL2485408 1.00 DYRK1A (0.64) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL183897 0.98 DYRK1A (0.66) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL29496945 0.98 DYRK1A (0.66) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
Phenol SCHEMBL28131268 0.89 NPC1 (0.56) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL17779985 0.85 ABCB1 (0.55) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL16109068 0.85 CES2 (0.66) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL28208710 0.84 CYP1A2 (0.56) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL31187765 0.84 GRM5 (0.49) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL17500184 0.84 GRM5 (0.49) DYRK1ACLK4RAB9ANPC1SMN1; SMN2
SCHEMBL8248415 0.84 NPC1 (0.52) DYRK1ACLK4RAB9ANPC1SMN1; SMN2

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-1407501-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE Showa Denko K.K. (JP) 2004-04-14 EP disclosed
WO-2003001616-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2003-01-03 WO disclosed