SCHEMBL8620807

SCHEMBL8620807

C1=CC2CC1CC2CNc1ccccc1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
FABP4 P15090 1/20 0.34
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL10526489 0.87 KDM4E (0.43) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL23640556 0.86 KDM4E (0.48) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL24575404 0.86 KDM4E (0.48) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL10525607 0.71 ALDH1A1 (0.43) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL10523659 0.71 ALDH1A1 (0.43) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL8623490 0.68 KDM4E (0.39) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL23640555 0.68 KDM4E (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL106226 0.67 KDM4E (0.51) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL444976 0.66 MAPT (0.70) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL19832321 0.66 L3MBTL1 (0.45) KDM4EALDH1A1TDP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed