SCHEMBL6576199

SCHEMBL6576199

CCCOc1c([N+](=O)[O-])ccc(OC)c1CBr

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.42
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6581247 0.86 ALDH1A1 (0.46) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4351741 0.77 ALDH1A1 (0.46) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6520014 0.77 ALDH1A1 (0.46) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6519971 0.76 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6576208 0.76 TDP1 (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL28092308 0.74 MAPT (0.48) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7880793 0.73 RECQL (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6580757 0.73 MEN1 (0.54) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL34472127 0.73 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL11404648 0.73 TDP1 (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2

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-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed