SCHEMBL28450181

SCHEMBL28450181

O=S(=O)(Oc1ccc(CN2CCOCC2)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HRH3 Q9Y5N1 5/20 0.53
▸ HIF1A Q16665 4/20 0.50
▸ EPAS1 Q99814 4/20 0.50
▸ KCNJ1 P48048 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL28190345 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
SCHEMBL28145882 0.85 SMN1; SMN2 (0.60) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
Hydrochloric Acid SCHEMBL28189713 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
SCHEMBL28190356 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
Hydrochloric Acid SCHEMBL28190342 0.83 SMN1; SMN2 (0.49) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
Fluoride SCHEMBL29218997 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HRH3HIF1AEPAS1KCNJ1
SCHEMBL5254572 0.80 HRH3 (0.55) SMN1; SMN2HRH3HIF1AEPAS1
SCHEMBL9996750 0.80 HTT (0.57) SMN1; SMN2HIF1AKCNJ1ALDH1A1KDM4E
SCHEMBL12470780 0.79 MET (0.41) SMN1; SMN2HIF1AEPAS1ALDH1A1KDM4E
SCHEMBL30507243 0.76 CA12 (0.61) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD

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
CN-111548269-B Preparation method of diaryl methane structural compound 兰州大学 2023-10-27 — — CN disclosed
CN-111548269-A Preparation method of diarylmethane structure compound 兰州大学 2020-08-18 — — CN disclosed
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