SCHEMBL12849196

SCHEMBL12849196

Cc1ccc(SC2Nc3nc(N)[nH]c(=O)c3N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.41
▸ XDH P47989 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PAH P00439 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TYMS P04818 6/20 0.36

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
SCHEMBL15185758 0.87 TYMS (0.43) NOS1XDHNOS3NOS2USP2
SCHEMBL156195 0.69 KDM4E (0.57) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL625929 0.67 KDM4E (0.59) NOS1NOS3NOS2USP2CASP7
SCHEMBL12368142 0.62 TYMS (0.47) XDHHSD17B10KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL10803149 0.62 PAH (0.42) NOS1XDHNOS3NOS2USP2
SCHEMBL584982 0.61 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7
SCHEMBL10506793 0.61 TYMS (0.40) XDHKDM4EMAPTKMT2AALDH1A1
SCHEMBL7515343 0.60 TYMS (0.42) XDHMAPTKMT2ANPSR1TDP1
Hydrochloric Acid SCHEMBL16741181 0.60 NOS1 (0.62) NOS1NOS3NOS2USP2CASP7
SCHEMBL1860432 0.59 NOS1 (1.00) NOS1NOS3NOS2USP2CASP7

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-7906520-B2 Reducing expression of tetrahydrobiopterin (BH4) biological activity; traumatic, metabolic or toxic peripheral nerve lesions THE GENERAL HOSPITAL CORPORATION (US) 2011-03-15 — — US disclosed
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