SCHEMBL7203119

SCHEMBL7203119

CCc1cnc(-c2cc(C)c(CC)cn2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.63
NOS1 P29475 1/20 0.63
NOS2 P35228 1/20 0.63
LDHA P00338 1/20 0.35
DHFR P00374 4/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL18729640 0.82 LDHA (0.58) NOS3NOS1NOS2LDHA
SCHEMBL26344805 0.82 NOS3 (0.50) NOS3NOS1NOS2LDHACCR1
SCHEMBL23879672 0.81 NOS3 (0.49) NOS3NOS1NOS2
SCHEMBL7120097 0.81 NOS3 (0.63) NOS3NOS1NOS2DHFRSLC6A2
SCHEMBL22951161 0.80 NOS3 (0.47) NOS3NOS1NOS2LDHAHCRTR1
SCHEMBL17450397 0.77 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL9129498 0.77 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL13547520 0.77 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL24481591 0.77 NOS3 (0.59) NOS3NOS1NOS2DHFRGABRP
SCHEMBL8322579 0.77 NOS3 (1.00) NOS3NOS1NOS2DHFRGABRP

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-6607653-B1 Tin-copper alloy plating bath, tin-copper-bismuth alloy plating bath or tin-copper-silver alloy plating bath containing a soluble metal compound and a specific sulfur-containing compound. The plating bath of the alloy with DAIWA FINE CHEMICALS CO., LTD. (JP) 2003-08-19 US disclosed
US-4004006-A CHELATES OF TRANSITION METALS AND 1,10-PHENANTHROLINE OR 2,2'-BIPYRIDINE SHULMAN ALBERT 1977-01-18 US disclosed