SCHEMBL6087484

SCHEMBL6087484

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 3/20 0.41
GRM5 P41594 1/20 0.41
IDH1 O75874 1/20 0.39
ROCK2 O75116 2/20 0.39
HCRTR2 O43614 1/20 0.39
DRD4 P21917 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 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
SCHEMBL7852868 0.93 PIK3R1 (0.39) GRIN1GRIN2BPIK3R1PIK3CAGRM5
SCHEMBL6086817 0.85 HPGD (0.43) KMT2A
SCHEMBL6087695 0.85 GRIN1 (0.44) GRIN1GRIN2BPIK3R1PIK3CAGRM5
SCHEMBL6086447 0.85 MTNR1A (0.49) GRIN1GRIN2BPIK3R1PIK3CAKMT2A
SCHEMBL6087128 0.84 TPH1 (0.34) GRIN1GRIN2BKMT2A
SCHEMBL6087068 0.84 DAO (0.46) KMT2A
SCHEMBL6086571 0.82 GRIN1 (0.49) GRIN1GRIN2B
SCHEMBL6086860 0.81 ALDH1A1 (0.37) KMT2A
SCHEMBL1484799 0.81 KCNH2 (0.39) GRM5KMT2A
SCHEMBL6087689 0.80 GRIN1 (0.40) GRIN1GRIN2BPIK3R1PIK3CAIDH1

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