SCHEMBL9670882

SCHEMBL9670882

CC1(Cc2ccc(S(N)(=O)=O)cc2)N=c2ccccc2=N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.48
CA1 P00915 15/20 0.48
CA9 Q16790 11/20 0.48
CA12 O43570 9/20 0.48
CA14 Q9ULX7 4/20 0.45
CA4 P22748 6/20 0.44
CA7 P43166 6/20 0.44
CA5A P35218 4/20 0.44
CA5B Q9Y2D0 4/20 0.44
CA6 P23280 3/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8324798 0.84 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL9672235 0.76 KMT2A (0.45) CA2CA1CA9CA12CA14
SCHEMBL9299658 0.76 DUT (0.48) CA2CA7SMN1; SMN2
SCHEMBL9502675 0.74 CA2 (0.51) CA2CA1CA9CA4CA7
SCHEMBL9501062 0.74 GBA1 (0.44) CA9CA12MAPTSMN1; SMN2
SCHEMBL9673430 0.74 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL9502025 0.74 ALDH1A1 (0.47) CA2CA9CA12SMN1; SMN2
SCHEMBL9503647 0.73 LMNA (0.48) CA2CA1MAPT
SCHEMBL9303870 0.72 CA2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL10690610 0.66 CA2 (0.89) CA2CA1CA9CA12CA14

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
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed