SCHEMBL9062982

SCHEMBL9062982

CSc1cc(SC)nc(Nc2ccc(-c3ccc(Nc4nc(SC)cc(SC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[NaH].[NaH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ SNCA P37840 3/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 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
SCHEMBL9062970 0.84 P2RY12 (0.37) CYP2C9USP2APEX1CA12CA1
SCHEMBL8014777 0.79 CHAT (0.36) CHATENPP3ENPP1CTDSP1USP2
SCHEMBL10948476 0.79 CHAT (0.36) CHATENPP3ENPP1CTDSP1USP2
SCHEMBL8749700 0.77 CHAT (0.37) CHATENPP3ENPP1CTDSP1USP2
SCHEMBL9551844 0.76 CHAT (0.39) CHATENPP3ENPP1CTDSP1USP2
SCHEMBL9551805 0.69 ENPP2 (0.42) CHATENPP3ENPP1USP2APEX1
SCHEMBL10944256 0.69 ENPP2 (0.42) CHATENPP3ENPP1USP2APEX1
SCHEMBL8015312 0.69 ENPP2 (0.42) CHATENPP3ENPP1USP2APEX1
SCHEMBL346242 0.69 ALDH1A1 (0.48) CHATCYP1A2CYP2C9CTDSP1APEX1
SCHEMBL7289086 0.68 CHAT (0.42) CHATENPP3ENPP1CYP1A2CYP2C9

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
EP-0383265-B1 Method for forming color image FUJI PHOTO FILM CO LTD (JP) 1996-06-12 — — EP disclosed
US-5162195-A Scanning exposure to three wavelengths, indole cyanine dye sensitizer FUJI PHOTO FILM CO., LTD. (JP) 1992-11-10 — — US disclosed
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