SCHEMBL8713669

SCHEMBL8713669

CCCCc1nccc(C)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.49
NOS3 P29474 3/20 0.48
SKP2 Q13309 1/20 0.41
TLR8 Q9NR97 4/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 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
SCHEMBL21883574 0.93 NOS2 (0.46) NOS2NOS3SKP2TLR8KDM4E
SCHEMBL21567686 0.89 NOS2 (0.56) NOS2NOS3TLR8LMNAKDM4E
SCHEMBL7008513 0.81 NOS2 (0.52) NOS2NOS3SKP2TLR8GABRP
SCHEMBL27839140 0.81 NOS2 (0.43) NOS2NOS3SKP2TLR8GABRP
SCHEMBL11489975 0.80 NOS2 (0.56) NOS2NOS3LMNAKDM4EPOLB
SCHEMBL28572387 0.78 NOS2 (0.44) NOS2NOS3SKP2TLR8GABRP
Hexane SCHEMBL28173825 0.77 NOS2 (0.52) NOS2NOS3SKP2TLR8LMNA
SCHEMBL19005863 0.76 NOS2 (0.42) NOS2NOS3LMNAKDM4ETDP1
SCHEMBL8713672 0.76 NOS2 (0.82) NOS2NOS3SKP2TLR8TLR7
SCHEMBL3836249 0.75 TDP1 (0.40) NOS2NOS3GABRPGABRDGABRA1

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
US-5846720-A Methods of determining chemicals that modulate expression of genes associated with cardiovascular disease ONCOGENE SCIENCE, INC. (US) 1998-12-08 US disclosed