SCHEMBL3626536

SCHEMBL3626536

O=S(=O)(NCCI)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KEAP1 Q14145 1/20 0.57
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TBXA2R P21731 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
GBA1 P04062 1/20 0.52
TSHR P16473 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8349568 0.87 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL606282 0.85 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10453840 0.83 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL9577143 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12672471 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12672466 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8349699 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12672473 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL21048464 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL18671536 0.81 ALDH1A1 (0.81) 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-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed