SCHEMBL9812992

SCHEMBL9812992

C=CCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TBXA2R P21731 2/20 0.53
KEAP1 Q14145 1/20 0.52
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
GBA1 P04062 2/20 0.49
TSHR P16473 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL28649464 0.89 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL5883674 0.83 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL14621509 0.82 ALDH1A1 (0.60) ALDH1A1LMNANPSR1CA2GBA1
SCHEMBL8349568 0.82 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL757988 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL24370532 0.80 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2HTR7
SCHEMBL11196755 0.80 EPHX2 (0.64) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL11512411 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
Formaldehyde SCHEMBL4557832 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8388144 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMSMN1; SMN2

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
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed