SCHEMBL7769152

SCHEMBL7769152

CCN(CCOc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL31686402 0.90 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2CHRNB2
SCHEMBL7769076 0.89 KCNH2 (0.38) MAPTALDH1A1MAPK1SMN1; SMN2CHRNB2
SCHEMBL8722711 0.86 MAPT (0.42) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL11699264 0.85 KMT2A (0.43) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL11699257 0.85 KMT2A (0.43) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL13178025 0.81 KMT2A (0.36) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL9493420 0.81 MAPT (0.38) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL30440420 0.81 MAPT (0.38) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL11591735 0.81 MEN1 (0.38) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL9493418 0.81 MAPT (0.38) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed