SCHEMBL11842413

SCHEMBL11842413

C=C(C)C(=O)Nc1cccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GPR35 Q9HC97 1/20 0.42
IDH1 O75874 2/20 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
SCHEMBL27404350 0.89 TDP1 (0.56) TDP1ALDH1A1MAPTCA12CA1
SCHEMBL396170 0.89 TDP1 (0.56) TDP1ALDH1A1MAPTCA12CA9
SCHEMBL7784420 0.87 ATM (0.53) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL7785812 0.87 IDO1 (0.51) ALDH1A1MAPTCA12CA1CA2
SCHEMBL396104 0.86 TDP1 (0.56) TDP1ALDH1A1CA12CA9PKM
SCHEMBL393893 0.86 TDP1 (0.59) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL27404207 0.84 TDP1 (0.51) TDP1ALDH1A1MAPTCA12CA1
SCHEMBL7597973 0.84 TDP1 (0.64) TDP1ALDH1A1MAPTCA12CA1
SCHEMBL1811660 0.82 TDP1 (0.62) TDP1MAPTCA12CA1CA2
SCHEMBL398959 0.82 TDP1 (0.55) TDP1CA12CA1CA2CA9

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
US-3936556-A Marking of articles BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed