SCHEMBL6535526

SCHEMBL6535526

Cc1c[nH]c(=O)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.44
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7351608 0.75 NPC1 (0.53) ARNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6535573 0.74 GSTP1 (0.53) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6535826 0.74 CHEK1 (0.46) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL12319823 0.73 AR (0.57) ARNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14919117 0.73 NPC1 (0.46) ARNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16310381 0.72 AR (0.59) ARNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17178921 0.71 AR (0.62) ARNPC1KMT2AMEN1MAPT
SCHEMBL17178926 0.71 AR (0.66) ARNPC1KMT2AMEN1MAPT
SCHEMBL25180669 0.71 AR (0.48) ARNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6535782 0.71 MCL1 (0.50) KDM4E

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