SCHEMBL9615080

SCHEMBL9615080

O=C(O)CS(=O)(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA2 P00918 4/20 0.59
CA7 P43166 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA1 P00915 4/20 0.56
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA9 Q16790 2/20 0.51
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19785165 0.82 HSD11B1 (0.53) CA12CA2CA7CA14CA1
SCHEMBL23733075 0.82 FFAR1 (0.50) KMT2AKDM4EATM
SCHEMBL813026 0.79 CA2 (0.68) CA12CA2CA7CA14CA1
SCHEMBL6534021 0.79 CA12 (0.68) CA12CA2CA7CA14CA1
SCHEMBL16477917 0.79 CA12 (0.68) CA12CA2CA7CA14CA1
SCHEMBL28034791 0.79 KMT2A (0.61) ALDH1A1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL2112943 0.78 CA2 (0.65) CA12CA2CA7CA14CA1
SCHEMBL4901848 0.76 CA2 (0.64) CA12CA2CA7CA14CA1
SCHEMBL5287971 0.76 CA12 (0.63) CA12CA2CA7CA14CA1
SCHEMBL229506 0.75 CA12 (0.68) CA12CA2CA7CA14CA1

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-0514449-A1 NOVEL ANTI-TUMORAL AGENT DERIVED FROM DEXTRAN. THERAPEUTIQUES SUBSTITUTIVES (FR) 1992-11-25 EP claimed