SCHEMBL23894081

SCHEMBL23894081

CCCCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 20/20 0.56
▸ CA1 P00915 19/20 0.56
▸ CA9 Q16790 17/20 0.56
▸ CA4 P22748 15/20 0.56
▸ CA12 O43570 12/20 0.56
▸ CA3 P07451 12/20 0.56
▸ CA6 P23280 12/20 0.56
▸ CA5A P35218 12/20 0.56
▸ CA7 P43166 12/20 0.56
▸ CA13 Q8N1Q1 12/20 0.56
▸ CA14 Q9ULX7 12/20 0.56
▸ CA5B Q9Y2D0 12/20 0.56

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
SCHEMBL23900418 0.93 CA2 (0.60) CA2CA1CA9CA4CA12
SCHEMBL23900244 0.92 CA2 (0.52) CA2CA1CA9CA4CA12
SCHEMBL18475438 0.92 CA2 (0.55) CA2CA1CA9CA4CA12
SCHEMBL19841188 0.91 CA2 (0.54) CA2CA1CA9CA4CA12
SCHEMBL18476489 0.89 CA2 (0.59) CA2CA1CA9CA4CA12
SCHEMBL20629617 0.85 CA2 (0.59) CA2CA1CA9CA4CA12
SCHEMBL18470085 0.85 CA2 (0.54) CA2CA1CA9CA4CA12
SCHEMBL24837486 0.83 CA2 (0.46) CA2CA1CA9CA4CA12
SCHEMBL16983568 0.83 CA2 (0.52) CA2CA1CA9CA4CA12
SCHEMBL22118542 0.81 CA1 (0.80) CA2CA1CA9CA4CA12

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-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 — — EP disclosed
Send feedback