SCHEMBL9660474

SCHEMBL9660474

O=[N+]([O-])c1ccc(CCNCC(O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ADRB2 P07550 2/20 0.52
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL28573926 0.93 ADRB2 (0.63) MEN1KMT2AADRB2KDM4EGAA
SCHEMBL6623043 0.93 ADRB2 (0.63) MEN1KMT2AADRB2KDM4EGAA
SCHEMBL15994144 0.93 ADRB2 (0.63) MEN1KMT2AADRB2KDM4EGAA
SCHEMBL2297575 0.93 MEN1 (0.60) NPC1ALDH1A1MEN1KMT2AADRB2
SCHEMBL2296960 0.93 MEN1 (0.60) NPC1ALDH1A1MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL19571212 0.92 ADRB2 (0.61) MEN1KMT2AADRB2KDM4EGAA
Hydrochloric Acid SCHEMBL1405434 0.92 ADRB2 (0.61) MEN1KMT2AADRB2KDM4EGAA
Sulfuric Acid SCHEMBL28838446 0.88 ADRB2 (0.57) MEN1KMT2AADRB2KDM4ECA12
Sulfuric Acid SCHEMBL28838447 0.88 ADRB2 (0.57) MEN1KMT2AADRB2KDM4ECA12
SCHEMBL16796557 0.85 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2AKDM4E

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-0307121-B1 SULPHONAMIDE ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1992-03-18 EP disclosed
EP-0307121-A1 Sulphonamide antiarrhythmic agents Pfizer Limited (GB) 1989-03-15 EP disclosed