SCHEMBL8077697

SCHEMBL8077697

CCc1ccccc1N.O=S(=O)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
FDPS P14324 1/20 0.40
LMNA P02545 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL39547 0.88
SCHEMBL29565534 0.88
Sulfuric Acid SCHEMBL9293766 0.86 GABRA1 (0.44) GAACA12CA1CA2CYP2C9
Ammonia Solution, Strong SCHEMBL27637031 0.85 CYP3A4 (0.47) GAACYP2C9FDPSGABRA1GABRB2
Iodide SCHEMBL29238182 0.85 CYP3A4 (0.47) GAACYP2C9FDPSGABRA1GABRB2
Water SCHEMBL17512841 0.85 CYP3A4 (0.47) GAACYP2C9FDPSGABRA1GABRB2
Hydrochloric Acid SCHEMBL1585890 0.85 CYP3A4 (0.48) GAACYP2C9FDPSGABRA1GABRB2
Bromide SCHEMBL28472529 0.85 CYP3A4 (0.47) GAACYP2C9FDPSGABRA1GABRB2
Water SCHEMBL27919614 0.85 CYP3A4 (0.47) GAACYP2C9FDPSGABRA1GABRB2
Hydrochloric Acid SCHEMBL2872325 0.85 CYP3A4 (0.48) GAACYP2C9FDPSGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837692-B1 CLOSTRIDIUM DIFFICILE TOXINS AND TOXOIDS AS MUCOSAL ADJUVANTS ORAVAX INC (US) 2000-08-30 EP disclosed
US-5919463-A INDUCING IMMUNE RESPONSE IN MAMMALS ORAVAX, INC. (US) 1999-07-06 US disclosed
EP-0837692-A1 CLOSTRIDIUM DIFFICILE TOXINS AS MUCOSAL ADJUVANTS ORAVAX, INC. (US) 1998-04-29 EP disclosed
EP-0837692-A4 1998-04-29 EP disclosed
WO-1997002836-A1 CLOSTRIDIUM DIFFICILE TOXINS AS MUCOSAL ADJUVANTS ORAVAX, INC. (US) 1997-01-30 WO disclosed