SCHEMBL9735698

SCHEMBL9735698

O=S(=O)(F)/C=C/Nc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
STAT1 P42224 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TGM2 P21980 2/20 0.43
MAPT P10636 5/20 0.42
NFKB1 P19838 2/20 0.42

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
SCHEMBL9735705 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9734847 0.82 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9734844 0.82 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9736367 0.81 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9735087 0.81 CA1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9735736 0.81 MAPT (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9736370 0.81 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9735084 0.81 CA1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9736486 0.80 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9736491 0.80 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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