SCHEMBL9089484

SCHEMBL9089484

CN(C)c1ccc(-c2ccnc(S(=O)(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL28270972 0.82 ALDH1A1 (0.51) KDM4EALDH1A1NSD2CA1CA2
Hydrochloric Acid SCHEMBL28088858 0.80 ALDH1A1 (0.50) KDM4EALDH1A1NSD2CA1CA2
SCHEMBL28203165 0.72 ALDH1A1 (0.50) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL8847160 0.70 ALDH1A1 (0.41) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8434248 0.69 UHRF1 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL27757723 0.68 MAPT (0.52) MAPTSMN1; SMN2KDM4EALDH1A1PSEN1
SCHEMBL1385348 0.68 ALDH1A1 (0.41) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3644768 0.68 ALDH1A1 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2403194 0.67 MAPT (1.00) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
Fluoride SCHEMBL27839384 0.67 UHRF1 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655065-B1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF AMERICAN HOME PROD (US) 1996-12-11 — — EP disclosed
EP-0655065-A1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF. AMERICAN HOME PROD (US) 1995-05-31 — — EP disclosed
US-5302600-A Inducing immunosuppression; antiinflammatory agents, antifungal, antitumor and antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 — — US disclosed
WO-1994004540-A1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1994-03-03 — — WO disclosed
US-5260299-A Treats transplantation rejection, host versus graft disease and diseases of inflammation by administering in mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1993-11-09 — — US disclosed
US-5256790-A Antibiotic AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 — — US disclosed
US-5177203-A Rapamycin 42-sulfonates and 42-(N-carboalkoxy) sulfamates useful as immunosuppressive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-01-05 — — US disclosed
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