SCHEMBL6576208

SCHEMBL6576208

COc1ccc([N+](=O)[O-])c(Cl)c1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL11404648 0.88 TDP1 (0.45) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL6520014 0.83 ALDH1A1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL6581247 0.83 ALDH1A1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL6519971 0.81 ALDH1A1 (0.45) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL4980012 0.80 TDP1 (0.57) TDP1ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL31503717 0.80 TDP1 (0.57) TDP1ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL4351741 0.79 ALDH1A1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL35211710 0.79 TDP1 (0.49) TDP1ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL6576203 0.78 TDP1 (0.60) TDP1ALDH1A1LMNAMAPK1
SCHEMBL34472127 0.78 ALDH1A1 (0.45) TDP1ALDH1A1L3MBTL1LMNASMN1; 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