SCHEMBL6086367

SCHEMBL6086367

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.37
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
BRAF P15056 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) HPGDTSHRMAPT
SCHEMBL6087279 0.89 ALDH1A1 (0.33) HPGDTSHRMAPTMAPK1
SCHEMBL6085643 0.87 GRIN1 (0.36)
SCHEMBL6086605 0.86 HPGD (0.42) HPGDTSHRMAPT
SCHEMBL6086149 0.85 MTNR1A (0.35) HPGDTSHRMAPTMAPK1
SCHEMBL6085665 0.84 TSHR (0.34) HPGDTSHRMAPT
SCHEMBL7837061 0.84 TPH1 (0.30) HPGDTSHR
SCHEMBL6088055 0.83 TYMS (0.38) TYMSHPGDTSHRL3MBTL1MAPT
SCHEMBL7848879 0.82 TYMS (0.35) TYMS
SCHEMBL7855251 0.82 NR3C1 (0.31)

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