SCHEMBL11269742

SCHEMBL11269742

O=[N+]([O-])c1ccc2c(c1)C[S+]([O-])CCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.41
ADRA2A P08913 3/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TDP2 O95551 1/20 0.37
CHRNA7 P36544 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.36
CAPN9 O14815 1/20 0.36
CASP3 P42574 1/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
TLR9 Q9NR96 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL541593 0.79 CA12 (0.54) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL717841 0.78 PNMT (0.50) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL11269163 0.77 MAPT (0.35) MAPTLMNACA12CA1CA2
SCHEMBL11267164 0.77 CA12 (0.35) MAPTRAB9ALMNANPC1CA12
Hydrochloric Acid SCHEMBL6210737 0.77 PNMT (0.49) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL11280879 0.77 AHR (0.36) PNMTADRA2AMAPTADRA2BADRA2C
SCHEMBL200716 0.76 PNMT (0.58) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL27599386 0.75 CA12 (0.50) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL11268349 0.74 PNMT (0.43) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL11260147 0.74 PNMT (0.36) PNMTMAPTCA12CA1CA2

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
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed