SCHEMBL6086546

SCHEMBL6086546

Cc1cc(C)cc(Cn2c(Sc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
HPGD P15428 4/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CXCL8 P10145 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
DAO P14920 1/20 0.32
PKM P14618 1/20 0.31
NOTUM Q6P988 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6086367 0.92 TYMS (0.37) HPGDTSHRMAPT
SCHEMBL6087279 0.92 ALDH1A1 (0.33) HPGDTSHRKMT2AKDM4EMEN1
SCHEMBL6085643 0.92 GRIN1 (0.36) KMT2AALDH1A1DAOSMN1; SMN2GRIN1
SCHEMBL6086605 0.92 HPGD (0.42) TPH1TPH2HPGDTSHRKMT2A
SCHEMBL7837061 0.91 TPH1 (0.30) TPH1TPH2HPGDTSHRALDH1A1
SCHEMBL6086149 0.90 MTNR1A (0.35) HPGDTSHRKMT2AKDM4EMEN1
SCHEMBL6085665 0.89 TSHR (0.34) TPH1TPH2HPGDTSHRKMT2A
SCHEMBL6086282 0.87 DAO (0.45) HPGDTSHRKMT2AKDM4EMEN1
SCHEMBL6086939 0.86 GRIN1 (0.43) HPGDALDH1A1PKMPOLBGRIN1
SCHEMBL6086384 0.85 MTNR1A (0.47) HPGDKMT2AALDH1A1HSD17B10DAO

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