SCHEMBL11328014

SCHEMBL11328014

Cc1ccc(S(N)(=O)=O)cc1S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.46
FFAR1 O14842 3/20 0.44
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
CA4 P22748 5/20 0.43
CA6 P23280 5/20 0.43
CA5A P35218 5/20 0.43
CA7 P43166 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11325999 0.89 KIF11 (0.43) FFAR4FFAR1CA12CA1CA2
SCHEMBL11685070 0.84 CA12 (0.58) FFAR4FFAR1CA12CA1CA2
SCHEMBL11333648 0.83 CA2 (0.51) CA12CA1CA2CA9CA4
SCHEMBL11326170 0.82 FFAR4 (0.47) FFAR4FFAR1CA12CA1CA2
SCHEMBL11505926 0.82 CA2 (0.42) FFAR4FFAR1CA12CA1CA2
SCHEMBL11326064 0.81 CA2 (0.49) CA12CA1CA2CA9CA4
SCHEMBL11326167 0.81 FFAR4 (0.43) FFAR4FFAR1CA12CA1CA2
SCHEMBL11335889 0.80 CA2 (0.67) CA12CA1CA2CA9CA4
SCHEMBL11326457 0.80 CA2 (0.40) FFAR4CA12CA1CA2CA9
SCHEMBL11328006 0.80 FFAR4 (0.51) FFAR4FFAR1CA12CA1CA2

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
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-4060521-A POLYAMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed