SCHEMBL6087689

SCHEMBL6087689

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cccc(C#N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
IDH1 O75874 1/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
NR3C1 P04150 1/20 0.38
DRD4 P21917 1/20 0.37
KMT2A Q03164 1/20 0.37
DAO P14920 1/20 0.37
ROCK2 O75116 1/20 0.37
HCRTR2 O43614 1/20 0.37
GLA P06280 1/20 0.37
DPP4 P27487 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL6086605 0.85 HPGD (0.42) KMT2A
SCHEMBL6087278 0.85 GRIN1 (0.41) GRIN1GRIN2BIDH1PIK3R1PIK3CA
SCHEMBL7848132 0.84 GRIN1 (0.40) GRIN1GRIN2BIDH1PIK3R1PIK3CA
SCHEMBL6086546 0.84 TPH1 (0.34) GRIN1GRIN2BKMT2ADAO
SCHEMBL6086384 0.83 MTNR1A (0.47) GRIN1GRIN2BPIK3R1PIK3CAKMT2A
SCHEMBL6086282 0.83 DAO (0.45) KMT2ADAO
SCHEMBL6087882 0.82 GRIN1 (0.49) GRIN1GRIN2BDPP4
SCHEMBL6086822 0.81 NPC1 (0.37) GRIN1GRIN2BKMT2A
SCHEMBL6087484 0.80 GRIN1 (0.43) GRIN1GRIN2BIDH1PIK3R1PIK3CA
SCHEMBL6086939 0.80 GRIN1 (0.43) GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed