SCHEMBL11548243

SCHEMBL11548243

[O]c1ccc(CCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.81
TP53 P04637 1/20 0.66
GAA P10253 1/20 0.66
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TPSAB1 Q15661 1/20 0.63
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TBXA2R P21731 1/20 0.53
PRMT1 Q99873 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL407477 0.90 ALDH1A1 (1.00) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL9278806 0.85 ALDH1A1 (0.90) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL11108367 0.83 ALDH1A1 (0.74) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL11103811 0.83 ALDH1A1 (0.74) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL8357191 0.81 ALDH1A1 (0.71) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL4520992 0.81 ALDH1A1 (0.77) ALDH1A1TP53GAALMNASMN1; SMN2
SCHEMBL13889021 0.81 ALDH1A1 (0.81) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL10453840 0.80 ALDH1A1 (0.96) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL3913371 0.79 ALDH1A1 (0.79) ALDH1A1TP53GAAKDM4ELMNA
SCHEMBL1287271 0.79 ALDH1A1 (1.00) ALDH1A1TP53GAATAAR1HSD17B10

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-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 EP disclosed