SCHEMBL6086259

SCHEMBL6086259

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2cc(F)cc(F)c2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
DAO P14920 2/20 0.34
ROCK2 O75116 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6087044 0.92 SMN1; SMN2 (0.37) DAOSMN1; SMN2KMT2ATPH1TPH2
SCHEMBL10204457 0.89 TPH1 (0.35) GRIN1GRIN2BSMN1; SMN2KMT2ARXFP1
SCHEMBL6086604 0.86 DRD1 (0.33) SMN1; SMN2KMT2ATPH1TPH2KDM4E
SCHEMBL6085479 0.86 MTNR1A (0.37) GRIN1GRIN2BDAOSMN1; SMN2KMT2A
SCHEMBL6086132 0.86 TYMS (0.38) SMN1; SMN2KMT2ARXFP1TPH1TPH2
SCHEMBL6086864 0.86 HPGD (0.44) KMT2AGAAKDM4EALDH1A1HPGD
SCHEMBL6087627 0.86 TSHR (0.34) GRIN1GRIN2BDAOSMN1; SMN2TPH1
SCHEMBL6088310 0.83 GRIN1 (0.36) GRIN1GRIN2BDAOROCK2KMT2A
SCHEMBL6086124 0.83 ROCK2 (0.38) GRIN1GRIN2BDAOROCK2KMT2A
SCHEMBL6086972 0.82 TYMS (0.46) GRIN2BDAOKMT2AKDM4EALDH1A1

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