SCHEMBL28089605

SCHEMBL28089605

Cc1cc(C)cc(-c2cnc(N)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 14/20 0.42
FEN1 P39748 13/20 0.42
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
NOS1 P29475 1/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL16826157 0.81 KDM1A (0.50) ALOX5APFEN1ALDH1A1
SCHEMBL11371855 0.79 NOS3 (0.50) ALOX5APFEN1NOS3NOS2NOS1
SCHEMBL379466 0.75 FEN1 (0.47) ALOX5APFEN1
SCHEMBL28356917 0.75 RAB9A (0.50) TLR9ALDH1A1
SCHEMBL14988156 0.75 KDM1A (0.44) ALDH1A1TSHR
SCHEMBL40268 0.75 NPC1 (0.51) ALOX5APFEN1NOS3NOS2NOS1
SCHEMBL16826219 0.72 FEN1 (0.46) ALOX5APFEN1TLR9TLR8TLR7
SCHEMBL30254720 0.71 MAP4K4 (0.58) NOS3NOS2NOS1TLR9TLR8
SCHEMBL29817861 0.70 FEN1 (0.62) ALOX5APFEN1TLR9
SCHEMBL17101060 0.70 FEN1 (0.50) ALOX5APFEN1

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
CN-105764911-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices such as OLEDs 巴斯夫欧洲公司 2016-07-13 CN disclosed