SCHEMBL11265699

SCHEMBL11265699

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NR4A2 P43354 2/20 0.58
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
PLA2G4B P0C869 1/20 0.54
SRD5A2 P31213 2/20 0.52
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
ALOX5 P09917 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
SCHEMBL11265305 0.89 MEN1 (0.55) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL7110502 0.89 MAOB (0.65) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL417705 0.88 MAPT (0.60) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL21483677 0.88 MAPT (0.55) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL27519354 0.87 MAPT (0.54) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL11262742 0.87 MAPT (0.54) MEN1KMT2ANR4A2MAPTLMNA
SCHEMBL16396254 0.87 RAB9A (0.60) MEN1KMT2AALDH1A1RAB9AMAOB
SCHEMBL862870 0.83 MEN1 (0.93) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1426961 0.83 MEN1 (1.00) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL708968 0.83 GCK (0.53) MEN1KMT2ANR4A2MAPTLMNA

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