SCHEMBL8091636

SCHEMBL8091636

O=[N+]([O-])c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
PIN1 Q13526 2/20 0.46
MGMT P16455 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RECQL P46063 1/20 0.45
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2477351 0.84 CTSV (0.50) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL9528862 0.82 HTR1A (0.54) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL27896296 0.82 NPC1 (0.45) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL27739041 0.81 CTSV (0.49) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL31375354 0.81 POLB (0.47) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL30015078 0.81 NPC1 (0.68) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL2305236 0.81 NPC1 (0.68) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL15013285 0.81 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL27388637 0.81 HTR1A (0.55) POLBCTSVCTSLHTR1AADRA1D
SCHEMBL12151484 0.80 HTR1A (0.59) POLBCTSVCTSLHTR1AADRA1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901458-B1 PROCESS FOR PREPARING 4,6-DIAMINO-RESORCINOL-DIHYDROCHLORIDE BAYER AG (DE) 2000-12-20 EP disclosed
EP-0710644-B1 Process for the preparation of 4,6-diaminoresorcinol BAYER AG (DE) 1997-09-24 EP disclosed
US-5574188-A NITRATING DICHLOROBENZENE, DIBENZYLOXY INTERMEDIATE, MULTISTEP BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0710644-A1 Process for the preparation of 4,6-diaminoresorcinol BAYER AG (DE) 1996-05-08 EP disclosed