SCHEMBL9968157

SCHEMBL9968157

CCC(C)(C)c1ccc2c(c1)c1ncccc1n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
KIF11 P52732 1/20 0.38
HRH3 Q9Y5N1 5/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL6 P41182 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.34
UTS2R Q9UKP6 1/20 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
SCHEMBL9968099 0.86 ADORA3 (0.43) ADORA3ADORA2AKIF11NPC1RAB9A
SCHEMBL9968158 0.80 GPR3 (0.52) KIF11LMNANPC1MAPK1CASP3
SCHEMBL13911852 0.75 MEN1 (0.53) ADORA3ADORA2ALMNANPC1MAPK1
SCHEMBL13183748 0.74 ADORA3 (0.50) ADORA3ADORA2AKIF11LMNANPC1
SCHEMBL1609786 0.72 GPR3 (0.58) ADORA3ADORA2AKIF11LMNANPC1
SCHEMBL31232963 0.72 GPR3 (0.58) ADORA3ADORA2AKIF11LMNANPC1
SCHEMBL14329568 0.71 ADORA3 (0.43) ADORA3ADORA2ALMNANPC1RAB9A
SCHEMBL12417360 0.71 ADORA3 (0.43) ADORA3ADORA2AKIF11NPC1RAB9A
SCHEMBL16625726 0.71 LIMK1 (0.43) ADORA3ADORA2ALMNANPC1RAB9A
SCHEMBL10316447 0.71 ADORA3 (0.43) ADORA3ADORA2ANPC1RAB9AMEN1

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed