SCHEMBL7848958

SCHEMBL7848958

CCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)n(Cc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK2 O75116 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 4/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8183668 0.86 ALDH1A1 (0.42) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL7843309 0.84 HSD17B10 (0.38) GRIN1GRIN2BKMT2AROCK2ALDH1A1
SCHEMBL7849648 0.83 GRIN1 (0.36) GRIN1GRIN2BKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6086770 0.82 GRIN1 (0.37) GRIN1GRIN2BKMT2AGAASMN1; SMN2
SCHEMBL7848121 0.80 HSD17B10 (0.49) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL7836833 0.79 GRIN1 (0.41) GRIN1GRIN2BKMT2AROCK2
SCHEMBL7844403 0.77 GRIN1 (0.37) GRIN1GRIN2BKMT2AGAAROCK2
SCHEMBL7846972 0.77 CYP1A2 (0.34) KMT2AGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7847397 0.77 GRIN1 (0.43) GRIN1GRIN2BKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7845884 0.76 GRIN1 (0.36) GRIN1GRIN2BKMT2AGAASMN1; SMN2

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