SCHEMBL7844185

SCHEMBL7844185

Cc1cc(C)cc(Oc2[nH]c(=O)n(Cc3nc4ccccc4o3)c(=O)c2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
CNR2 P34972 1/20 0.36
AKR1B1 P15121 2/20 0.36
HCRTR2 O43614 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
DPP4 P27487 1/20 0.33
NPC1 O15118 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
SCHEMBL7848837 0.86 TP53 (0.39) TP53CNR2AKR1B1HCRTR2KMT2A
SCHEMBL6087401 0.85 HCRTR2 (0.38) TP53CNR2HCRTR2KMT2AMEN1
SCHEMBL7837569 0.81 KMT2A (0.37) CNR2AKR1B1HCRTR2KMT2AMEN1
SCHEMBL7846207 0.81 TLR7 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7847395 0.81 MEN1 (0.39) TP53AKR1B1HCRTR2KMT2AMEN1
SCHEMBL7848304 0.79 TLR7 (0.33) KMT2AMEN1MAPTALDH1A1TLR7
SCHEMBL7847101 0.78 GRIN1 (0.45) GABRA1GABRA5ALDH1A1TLR7
SCHEMBL7848800 0.78 KDM4E (0.34) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6087657 0.77 TP53 (0.39) TP53CNR2HCRTR2KMT2AMEN1
SCHEMBL7849498 0.76 TLR7 (0.33) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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