SCHEMBL7835808

SCHEMBL7835808

Cc1cc(C)cc(Oc2[nH]c(=O)n(Cc3cccnc3)c(=O)c2C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.43
GRIN2B Q13224 8/20 0.43
GABRA1 P14867 4/20 0.40
GABRA5 P31644 4/20 0.40
PKM P14618 3/20 0.40
MAPK10 P53779 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
CYBB P04839 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNOT7 Q9UIV1 1/20 0.38

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
SCHEMBL7846207 0.87 TLR7 (0.42) KMT2AMEN1CYP3A4
SCHEMBL7848800 0.86 KDM4E (0.34) GRIN1GRIN2BKMT2AMEN1
SCHEMBL7847304 0.84 GRIN1 (0.44) GRIN1GRIN2BGABRA1GABRA5PKM
SCHEMBL6086769 0.84 GRIN1 (0.43) GRIN1GRIN2BGABRA1GABRA5PKM
SCHEMBL7837526 0.82 MTNR1A (0.52) GRIN1GRIN2BKMT2AMEN1CYP1A2
SCHEMBL7847101 0.82 GRIN1 (0.45) GRIN1GRIN2BGABRA1GABRA5KDM5B
SCHEMBL7843323 0.81 GRIN1 (0.36) GRIN1GRIN2BKMT2A
SCHEMBL7848233 0.81 MTNR1A (0.39) GRIN1GRIN2BKMT2AMEN1
SCHEMBL7844132 0.81 ALDH1A1 (0.37) KMT2AMEN1
SCHEMBL7848304 0.79 TLR7 (0.33) GRIN1GRIN2BKDM5BKMT2AMEN1

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