SCHEMBL3924345

SCHEMBL3924345

Cc1cccc(-c2cs[c]n2)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
NUDT1 P36639 4/20 0.39
TLR8 Q9NR97 1/20 0.37
HTR2C P28335 1/20 0.35
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
S1PR1 P21453 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
AVPR2 P30518 1/20 0.30
OXTR P30559 1/20 0.30

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
SCHEMBL7227702 0.85 IDO1 (0.42) CNR2TLR8ATMALDH1A1MAPT
SCHEMBL5260014 0.74 CYP1A2 (0.45) ATMALDH1A1MAPTPRKDC
SCHEMBL9362141 0.71 ALDH1A1 (0.38) TRPA1ALDH1A1MAPT
SCHEMBL17626132 0.71 MAPT (0.43) TLR8ATMALDH1A1MAPT
SCHEMBL3858714 0.71 HTR2C (0.40) TLR8HTR2CALDH1A1MAPT
SCHEMBL467854 0.71 IDO1 (0.45) CNR2NUDT1HTR2C
SCHEMBL17626050 0.71 ENPP1 (0.38) ALDH1A1MAPT
SCHEMBL17626197 0.71 PTPRC (0.43) ALDH1A1MAPT
SCHEMBL7325044 0.70 ALDH1A2 (0.35) ALDH1A1MAPT
SCHEMBL2201317 0.70 IDO1 (0.43) CNR2ALDH1A1

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-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed