Dimethyl Sulfoxide

Dimethyl Sulfoxide

SCHEMBL2479410

COC(=O)c1ccc(N2CCC(=Cc3ccccc3Br)CC2)cc1Oc1ccccc1.C[S+](C)[O-]

nearest known ligand 0.39

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 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIRT6 Q8N6T7 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ PTGDR Q13258 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
SCHEMBL1956001 0.95 HTR6 (0.38) CYP2C9CYP2C19CYP1A2SMN1; SMN2HTR6
Dimethyl Sulfoxide SCHEMBL2405986 0.81 ALDH1A1 (0.44) CYP2C9CYP2C19CYP1A2SMN1; SMN2KMT2A
SCHEMBL1955955 0.81 HTR6 (0.35) CYP2C9CYP2C19CYP1A2SMN1; SMN2HTR6
SCHEMBL1957162 0.78 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2SMN1; SMN2HTR6
SCHEMBL2386869 0.76 ALDH1A1 (0.49) CYP2C9CYP2C19CYP1A2SMN1; SMN2KMT2A
SCHEMBL27910608 0.74 MAPT (0.51) CYP2C9CYP2C19CYP1A2SMN1; SMN2HTR6
SCHEMBL1955377 0.74 LTA4H (0.53) CYP2C9CYP2C19HTR6KMT2AHSD17B10
SCHEMBL1959118 0.71 ALDH1A1 (0.49) SMN1; SMN2HTR6KMT2AMEN1ALDH1A1
SCHEMBL27850273 0.71 HTR6 (0.42) CYP2C9CYP2C19CYP1A2SMN1; SMN2HTR6
SCHEMBL1955303 0.71 PDK2 (0.51) CYP2C9CYP2C19SMN1; SMN2KMT2AHSD17B10

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-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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