SCHEMBL7837569

SCHEMBL7837569

Cc1cc(C)cc(Sc2[nH]c(=O)n(Cc3nc4ccccc4o3)c(=O)c2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AKR1B1 P15121 2/20 0.36
HCRTR2 O43614 1/20 0.36
RAB9A P51151 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CD O00329 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.33
ADORA2B P29275 1/20 0.33
CNR2 P34972 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33

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
SCHEMBL7836075 0.86 RAB9A (0.38) KMT2AMEN1AKR1B1HCRTR2RAB9A
SCHEMBL6086306 0.85 KMT2A (0.39) KMT2AMEN1AKR1B1HCRTR2RAB9A
SCHEMBL7844185 0.81 TP53 (0.37) KMT2AMEN1AKR1B1HCRTR2RAB9A
SCHEMBL7843371 0.81 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1
SCHEMBL7847395 0.81 MEN1 (0.39) KMT2AMEN1AKR1B1HCRTR2RAB9A
SCHEMBL7845199 0.78 GRIN1 (0.45) ALDH1A1GABRA1GABRA5
SCHEMBL6089793 0.77 RAB9A (0.38) KMT2AMEN1AKR1B1HCRTR2RAB9A
SCHEMBL7848697 0.76 TLR7 (0.32) KMT2AMEN1MAPTALDH1A1
SCHEMBL6087401 0.76 HCRTR2 (0.38) KMT2AMEN1HCRTR2RAB9APIK3CB
SCHEMBL6087446 0.75 HCRTR2 (0.39) KMT2AMEN1AKR1B1HCRTR2RAB9A

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-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed