SCHEMBL9397393

SCHEMBL9397393

O=S(=O)(C(F)=[P])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTR6 P50406 1/20 0.48
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL777950 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL5865848 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL5132709 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL9181571 0.78 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL778407 0.78 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL9397394 0.78 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTR6CA1CA2
Benzene SCHEMBL1357365 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL6468312 0.76 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL6460066 0.76 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL27601416 0.75 ALDH1A1 (0.52) SMN1; SMN2TSHRHTR6CA1CA2

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-0365849-B1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl adenosine derivatives MERRELL DOW PHARMA (US) 1994-09-14 — — EP disclosed
EP-0365849-A2 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl adenosine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-02 — — EP disclosed
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