SCHEMBL10783262

SCHEMBL10783262

O=[N+]([O-])c1ccc(C(O)CS)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
NPC1 O15118 2/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 2/20 0.47
IGF1R P08069 1/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MARS2 Q96GW9 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL240466 0.84 ALDH1A1 (0.72) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL1983480 0.84 ALDH1A1 (0.72) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL2368297 0.84 ALDH1A1 (0.72) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL18913904 0.84 ALDH1A1 (0.72) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL27857585 0.82 ALDH1A1 (0.70) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL28436171 0.82 ALDH1A1 (0.70) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL1023275 0.82 ALDH1A1 (0.70) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL4743348 0.81 ALDH1A1 (0.62) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL6159203 0.81 ALDH1A1 (0.68) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL7285215 0.81 ALDH1A1 (0.68) ALDH1A1NPC1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092909-B1 PROCESS FOR PRODUCING AMINOPHENYL-BETA-HYDROXYETHYLSULFONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed
US-4612394-A Process for producing aminophenyl-β-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0092909-A2 Process for producing aminophenyl-beta-hydroxyethylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP disclosed