SCHEMBL6863156

SCHEMBL6863156

CCCC/C=C/c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GRM4 Q14833 1/20 0.40
NR4A1 P22736 1/20 0.39
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TOP2A P11388 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
SCHEMBL6863164 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL9466506 0.95 MEN1 (0.52) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3124117 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL9567006 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL9567002 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3115987 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL28879045 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL7529684 0.93 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
Ammonia Solution, Strong SCHEMBL27627886 0.91 NPC1 (0.48) MEN1NPC1RAB9AKMT2AATM
SCHEMBL30379649 0.89 MEN1 (0.58) MEN1NPC1RAB9AKMT2AATM

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-6797980-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
US-20020100906-A1 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2002-08-01 US disclosed