SCHEMBL30043551

SCHEMBL30043551

Cc1ccc(S(=O)(=O)/N=S(\C)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIR O00625 1/20 1.00
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ CYP2C19 P33261 2/20 0.63
▸ AR P10275 5/20 0.56
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL22188685 1.00 PIR (1.00) PIRMEN1KMT2ACYP2C19AR
SCHEMBL20588838 1.00 PIR (1.00) PIRMEN1KMT2ACYP2C19AR
SCHEMBL17996453 0.81 KMT2A (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17015171 0.81 KMT2A (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL16317067 0.80 CYP2C19 (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17015173 0.80 CYP2C19 (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17020444 0.79 CYP2C19 (0.79) PIRMEN1KMT2ACYP2C19LMNA
SCHEMBL16317068 0.79 CYP2C19 (0.79) PIRMEN1KMT2ACYP2C19LMNA
SCHEMBL27688888 0.75 AR (0.65) PIRCYP2C19ARCA12CA9
SCHEMBL22217121 0.75 CYP2C19 (0.77) PIRMEN1KMT2ACYP2C19LMNA

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
CN-217740301-U Portable high-voltage reactor cooling device 广东威恒输变电工程有限公司 2022-11-04 — — CN disclosed
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