SCHEMBL11271196

SCHEMBL11271196

O=[N+]([O-])c1cc(OCc2ccccc2)cc(C(O)CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
AR P10275 1/20 0.42
CYP19A1 P11511 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3923237 0.84 KMT2A (0.53) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL13840614 0.84 KMT2A (0.53) KMT2AMEN1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11265303 0.81 ADRB2 (0.47) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5531232 0.78 KMT2A (0.50) KMT2AMEN1LMNASMN1; SMN2MAOB
SCHEMBL9967892 0.78 GRM5 (0.47) KMT2AMEN1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11268166 0.78 KDM4E (0.49) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL31413304 0.78 MAOB (0.54) MAPTKMT2AMEN1LMNACTSV
SCHEMBL220992 0.78 MAOB (0.54) MAPTKMT2AMEN1LMNACTSV
Hydrochloric Acid SCHEMBL11268346 0.78 KMT2A (0.41) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3443080 0.77 KMT2A (0.58) KMT2AMEN1LMNASMN1; SMN2HTT

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-4337272-A BRONCHODILATOR AGENTS VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1982-06-29 US disclosed
US-4252824-A BRONCHODILATOR AGENTS VALEAS S.R.L., INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-02-24 US disclosed