SCHEMBL9684266

SCHEMBL9684266

Cc1ccc(S(=O)(=O)OCC2=Cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.48
ALDH1A1 P00352 4/20 0.42
DHODH Q02127 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOD2 Q9HC29 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
F2 P00734 1/20 0.38
STAT3 P40763 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL9629766 0.81 KMT2A (0.40) ALDH1A1LMNAMAPTPOLBL3MBTL1
SCHEMBL13954243 0.80 VDR (0.51) VDRALDH1A1DHODHLMNAMAPT
SCHEMBL8061919 0.77 VDR (0.47) VDRALDH1A1LMNACYP2C9CYP2C19
SCHEMBL2890 0.76 CA9 (0.53) VDRALDH1A1LMNAMAPTCYP2C9
Ammonia Solution, Strong SCHEMBL9470841 0.74 CA9 (0.51) VDRALDH1A1LMNAMAPTCYP2C9
Toluene SCHEMBL9257721 0.74 CA9 (0.51) VDRALDH1A1LMNAMAPTCYP2C9
SCHEMBL6859827 0.73 CA2 (0.63) VDRALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8052920 0.73 CA2 (0.63) VDRALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL5870619 0.73 MEN1 (0.54) VDRALDH1A1KDM4EHPGDKEAP1
SCHEMBL11743502 0.73 ALDH1A1 (0.46) VDRALDH1A1LMNAMAPTUSP2

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
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed