SCHEMBL9129498

SCHEMBL9129498

CCc1cnc(S)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.59
NOS1 P29475 1/20 0.59
NOS2 P35228 1/20 0.59
DHFR P00374 4/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL9124919 0.83 NOS3 (0.44) NOS3NOS1NOS2GABRPGABRD
SCHEMBL9127258 0.82 NOS3 (0.42) NOS3NOS1NOS2DHFRGABRP
SCHEMBL21076465 0.81 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL24481591 0.78 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL7203119 0.77 NOS3 (0.63) NOS3NOS1NOS2DHFRGABRP
SCHEMBL7120097 0.77 NOS3 (0.63) NOS3NOS1NOS2DHFRSLC6A2
SCHEMBL17450397 0.74 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL13547520 0.74 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL8322579 0.74 NOS3 (1.00) NOS3NOS1NOS2DHFRGABRP
SCHEMBL9133817 0.74

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-5399488-A Kidneys NITTO BOSEKI CO., LTD. (JP) 1995-03-21 US disclosed