SCHEMBL9734847

SCHEMBL9734847

O=S(=O)(F)C=CNc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 4/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
STAT1 P42224 1/20 0.46
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
BRCA1 P38398 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.41

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
SCHEMBL9734844 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KDM4ECA1
Hydrochloric Acid SCHEMBL9736370 0.98 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1
Hydrochloric Acid SCHEMBL9736367 0.98 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9735084 0.82 CA1 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9735698 0.82 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9735087 0.82 CA1 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9735736 0.82 MAPT (0.51) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9735705 0.82 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9736486 0.82 NPC1 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1
SCHEMBL9736491 0.82 NPC1 (0.48) SMN1; SMN2RAB9ANPC1KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112866-A Sulfonylfluorides as intermediates, also useful in treatment of bone disorders, antisecretory, antiulcer ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-12 US disclosed