SCHEMBL27757536

SCHEMBL27757536

C=CCS(=O)(=O)c1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA14 Q9ULX7 4/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GNG2 P59768 1/20 0.34
▸ GNB1 P62873 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 2/20 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
SCHEMBL10630409 0.80 ALDH1A1 (0.40) CA1CA2CA9CA12CA14
Vinylsulfonic Acid SCHEMBL27540658 0.76 HSD17B10 (0.48) CA1CA2CA9CA12CA14
SCHEMBL28814337 0.76 GABRA1 (0.39) CA1CA2CA9CA12CA14
SCHEMBL30930080 0.76 TSHR (0.43) CA1CA2CA9CA12CA14
SCHEMBL27569082 0.75 RAPGEF4 (0.60) CA1CA2CA9CA12ALDH1A1
SCHEMBL29169943 0.74 CA12 (0.50) CA1CA2CA9CA12CA14
SCHEMBL1004339 0.73 HSD17B10 (0.53) CA1CA2CA9CA12CA14
SCHEMBL2148798 0.72 GAA (0.55) CA1CA2CA9CA12CA14
Hydrochloric Acid SCHEMBL8657314 0.71 HSD17B10 (0.52) CA1CA2CA9CA12CA14
SCHEMBL3476661 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541860-A Method of preparing aramid polymers incorporating carbon nanotubes DU PONT (US) 2009-09-23 — — CN claimed
CN-101541860-A Method of preparing aramid polymers incorporating carbon nanotubes DU PONT (US) 2009-09-23 — — CN disclosed
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