SCHEMBL8794690

SCHEMBL8794690

COc1cc2c3c([nH]c2cc1Cl)C(=O)N=NC3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
MAPT P10636 3/20 0.38
AURKA O14965 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
HIF1A Q16665 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8796099 0.84 GRIN2D (0.50) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL8794843 0.75 KDM4E (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL8795329 0.74 GRIN2D (0.36) GRIA1CACNG8GRIN2DGRIN3BGRIN1
SCHEMBL5473245 0.72 NQO2 (0.54) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL8794931 0.72 KDM4E (0.48) HPGDKDM4EMEN1KMT2ANPSR1
SCHEMBL8794489 0.72 PARP1 (0.49) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL8794516 0.72 NQO2 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL10619036 0.70 KMO (0.45) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL15428090 0.70 NCOA1 (0.73) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL8796139 0.69 ABCG2 (0.54) MTNR1AMTNR1BALDH1A1HPGDKDM4E

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
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed