SCHEMBL3676646

SCHEMBL3676646

Cc1cccc(-c2[nH]c(=O)ccc2-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.57
CYP2A6 P11509 1/20 0.46
MAPK14 Q16539 1/20 0.44
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PDE10A Q9Y233 7/20 0.42
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL5039401 0.77 TGFBR1 (0.54) TGFBR1CYP2A6MAPK14CCR1CCR8
SCHEMBL2922398 0.75 PDE10A (0.52) GAAPDE10AKDM4ENOTUM
SCHEMBL11231230 0.72 CCR1 (0.44) TGFBR1CYP2A6MAPK14CCR1CCR8
SCHEMBL30772217 0.71 TGFBR1 (0.54) TGFBR1CYP2A6MAPK14CCR1CCR8
SCHEMBL647992 0.71 MEN1 (0.68) TGFBR1CYP2A6CCR1CCR8MAPT
SCHEMBL29963679 0.71 MEN1 (0.68) TGFBR1CYP2A6CCR1CCR8MAPT
SCHEMBL31663552 0.70 TGFBR1 (0.53) TGFBR1CYP2A6MAPK14CCR1CCR8
SCHEMBL11010732 0.70 PDE4A (0.53) GAAMAPTKDM4EJAK2JAK1
Bromide SCHEMBL15901554 0.69 RAB9A (0.65) TGFBR1CYP2A6CCR1CCR8MAPT
SCHEMBL12594495 0.69 MEN1 (0.64) TGFBR1CYP2A6CCR1CCR8MAPT

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 2 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
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