SCHEMBL8865737

SCHEMBL8865737

O=[N+]([O-])c1ccc(Sc2cnccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGIR P43119 1/20 0.44
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL11729785 0.80 MAPT (0.45) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL177702 0.79 KDM4E (0.69) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL19420096 0.75 MAPT (0.58) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6191851 0.75 MAPT (0.63) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL20379919 0.75 MAPT (0.54) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL3328543 0.74 MAPT (0.79) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4163474 0.74 MAPT (0.79) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL8737448 0.74 HAO1 (0.53) KDM4ELMNATDP1SMN1; SMN2POLB
SCHEMBL20380348 0.74 CYP3A4 (0.48) MAPTKDM4EMAPK1
SCHEMBL19332416 0.74 MAPT (0.50) MAPTMEN1KMT2AKDM4ESMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1038413-C Therapeutic amides ZENECA LTD (GB) 1998-05-20 CN disclosed
US-5684198-A N-ARYL-2-HYDROXYPROPANAMIDES IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-11-04 US disclosed
US-5567735-A CELL POTASSIUM CHANNEL MODULATOR FOR TREATING ASTHMA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-22 US disclosed
US-5565477-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
US-5565465-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP disclosed
US-5474999-A Useful in treatment of urinary incontinence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-12-12 US disclosed
US-5382598-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 US disclosed
US-5272163-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
CN-1069727-A The acid amides that is used for the treatment of ICI PLC (GB) 1993-03-10 CN disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP disclosed