SCHEMBL6535826

SCHEMBL6535826

Cc1c[nH]c(=O)c(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
MET P08581 1/20 0.43
BRD4 O60885 2/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 2/20 0.41
METAP1 P53582 2/20 0.41
CYP1A2 P05177 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
DAO P14920 1/20 0.41

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
SCHEMBL1882316 0.79 AURKA (0.50) CHEK1NPC1RAB9AMAPTKDM4E
SCHEMBL16456296 0.78 TNKS (0.55) CHEK1NPC1RAB9AMITFMAPT
SCHEMBL924667 0.76 AXL (0.49) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL14446919 0.74 BTK (0.46) CHEK1NPC1RAB9AMITFMAPT
SCHEMBL6535526 0.74 AR (0.54) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL8675092 0.73 ALDH1A1 (0.56) CHEK1NPC1RAB9AMETBRD4
SCHEMBL6535142 0.73 AURKA (0.58) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL2096438 0.73 PRKCI (0.47) CHEK1NPC1RAB9AMAPTMET
SCHEMBL3423163 0.72 KDM4E (0.50) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL11019342 0.72 CHEK1 (0.38) CHEK1NPC1RAB9AMITFMAPT

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-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed