Dimethyl Sulfoxide

Dimethyl Sulfoxide

SCHEMBL9312671

C[S+](C)[O-].O=[N+]([O-])c1ccccc1CO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAP2K1MAP2K2

The experimentally established mechanism targets of Dimethyl Sulfoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CA12 O43570 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
Methyl Alcohol SCHEMBL7290159 0.91 ALDH1A1 (0.66) ALDH1A1TSHRCA12HPGDMEN1
SCHEMBL68381 0.91 ALDH1A1 (0.70) ALDH1A1TSHRCA12HPGDMEN1
SCHEMBL29699944 0.91 ALDH1A1 (0.70) ALDH1A1TSHRCA12HPGDMEN1
Hydrochloric Acid SCHEMBL27731300 0.89 ALDH1A1 (0.68) ALDH1A1TSHRCA12HPGDMEN1
SCHEMBL30360988 0.89 ALDH1A1 (0.68) ALDH1A1TSHRCA12HPGDMEN1
Carbamic Acid SCHEMBL28367932 0.82 ALDH1A1 (0.59) ALDH1A1TSHRCA12HPGDMEN1
Acrylic Acid SCHEMBL28952727 0.78 ALDH1A1 (0.54) ALDH1A1TSHRCA12HPGDMEN1
SCHEMBL249846 0.77 ALDH1A1 (0.68) ALDH1A1TSHRCA12HPGDMEN1
SCHEMBL124981 0.77 ALDH1A1 (0.67) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL29437308 0.77 ALDH1A1 (0.67) ALDH1A1TSHRHPGDMEN1KMT2A

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-5334718-A Decyclizing a phenyl or a pyridyl or pyrimidyl group by reacting with a base to get angiotension antagonist ZENECA LIMITED (GB) 1994-08-02 — — US disclosed
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