SCHEMBL8102490

SCHEMBL8102490

Nc1c(C(F)(F)F)cc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 1/20 0.35
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
NSD2 O96028 1/20 0.33
MMP14 P50281 1/20 0.33
CASP6 P55212 1/20 0.33
P2RX1 P51575 1/20 0.33

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
SCHEMBL10133622 0.81 CA1 (0.45) CA1CA2CA9CA4NSD2
SCHEMBL31737506 0.79 ALDH1A1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL1957301 0.77 CA1 (0.52) CA1CA2CA9NSD2MMP14
SCHEMBL27872317 0.75 RAB9A (0.50) RAB9APKMP2RX1CYP1A2CYP2D6
SCHEMBL5832588 0.75 P2RX1 (0.43) RAB9APKMP2RX1CYP1A2CYP2D6
SCHEMBL9950648 0.74 CA1 (0.45) CA1CA2CA9NSD2MMP14
SCHEMBL8097726 0.74 NT5E (0.45) CA1CA2CA9CA5AFFAR4
SCHEMBL8990126 0.73 CA1 (0.39) CA1CA2CA4NSD2MMP14
SCHEMBL9951728 0.72 CA1 (0.43) CA1CA2CA9NSD2MMP14
SCHEMBL11247743 0.72 CA1 (0.50) CA1CA2CA7CA9CA12

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-0767219-B1 Pigmented plastics compositions CIBA SC HOLDING AG (CH) 2000-12-27 EP disclosed
US-4801693-A DYEING WOOL, CELLULOSE, OR COTTON BASF AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed
US-4652633-A YELLOW AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0167785-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1986-01-15 EP disclosed
EP-0154816-A2 Azo compounds containing sulfonic-acid groups BASF Aktiengesellschaft (DE) 1985-09-18 EP disclosed