SCHEMBL3668802

SCHEMBL3668802

N#Cc1ncccc1-c1c(-c2ccccc2)c(-c2ccccn2)c[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MCL1 Q07820 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 1/20 0.35
PARP1 P09874 1/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.34
TGFBR1 P36897 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
Water SCHEMBL4777584 0.87 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL2918049 0.87 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL3667468 0.84 PARP1 (0.45) KDM4EALDH1A1HTTATMSMN1; SMN2
SCHEMBL6686812 0.82 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL3672899 0.82 CYP2A6 (0.40) PRMT5WDR77ALDH1A1HPGDHTT
SCHEMBL3666596 0.82 CYP2A6 (0.37) ALDH1A1HTTATMSMN1; SMN2CYP2A6
SCHEMBL3665537 0.81 SMN1; SMN2 (0.35) MCL1KDM4EALDH1A1HPGDGRIA1
SCHEMBL3667347 0.81 MAPK14 (0.42) KDM4EALDH1A1HTTATMSMN1; SMN2
SCHEMBL3665777 0.81 CCNE1 (0.40) KDM4EALDH1A1HPGDHTTATM
SCHEMBL1882884 0.79 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGRIA1

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-2254577-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN Eisai R&D Management Co., Ltd. (JP) 2010-12-01 EP disclosed
EP-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2164489-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2009082039-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 WO disclosed
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed