SCHEMBL6085643

SCHEMBL6085643

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
DAO P14920 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6086546 0.92 TPH1 (0.34) GRIN1GRIN2BDAOKMT2ASMN1; SMN2
SCHEMBL6087279 0.87 ALDH1A1 (0.33) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6086367 0.87 TYMS (0.37)
SCHEMBL6086605 0.86 HPGD (0.42) KMT2AALDH1A1
SCHEMBL6085665 0.86 TSHR (0.34) GRIN1GRIN2BDAOKMT2A
SCHEMBL6086149 0.85 MTNR1A (0.35) GRIN1GRIN2BKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7837061 0.84 TPH1 (0.30) ALDH1A1
SCHEMBL6086770 0.83 GRIN1 (0.37) GRIN1GRIN2BDAOKMT2ASMN1; SMN2
SCHEMBL6087118 0.83 ROCK2 (0.34) GRIN1GRIN2B
SCHEMBL7849648 0.82 GRIN1 (0.36) GRIN1GRIN2BKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed