SCHEMBL5328955

SCHEMBL5328955

COc1cccc(Cn2c(=O)cc(-c3ccc(C)cc3)n(-c3ccc(SC)cc3)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
ROCK2 O75116 3/20 0.43
MIF P14174 2/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
CMA1 P23946 1/20 0.40
THRB P10828 1/20 0.40
CD74 P04233 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL5323331 0.89 RGS4 (0.48) TP53POLBMAPT
SCHEMBL5324677 0.81 RGS4 (0.46) KMT2A
SCHEMBL5325697 0.79 RAD51 (0.40) THRB
SCHEMBL5325289 0.78 HSP90AA1 (0.38) TP53POLBMAPT
SCHEMBL14622453 0.78 CYP11B1 (0.43) POLB
SCHEMBL5331474 0.78 PTGS2 (0.38) KMT2AMAPTTHRB
SCHEMBL5326762 0.78 LMNA (0.49) KMT2AMAPT
SCHEMBL5326415 0.78 NPBWR1 (0.39) TP53POLBCMA1
SCHEMBL14622895 0.77 PTGS2 (0.41) POLBKMT2AMAPT
SCHEMBL5330439 0.77 LMNA (0.44) TP53KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed