SCHEMBL6085656

SCHEMBL6085656

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
DHFR P00374 1/20 0.33
TYMS P04818 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PSMD14 O00487 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 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
SCHEMBL7855333 0.92 NR3C1 (0.35) SMN1; SMN2MEN1TSHRKMT2AMAPK1
SCHEMBL6087421 0.92 SMN1; SMN2 (0.37) SMN1; SMN2PKMMEN1TSHRKMT2A
SCHEMBL6088055 0.89 TYMS (0.38) SMN1; SMN2TYMSPKMMEN1TSHR
SCHEMBL6086545 0.88 HPGD (0.43) BRD4MEN1TSHRKMT2AMAPK1
SCHEMBL6086770 0.86 GRIN1 (0.37) SMN1; SMN2PKMKMT2ATPH1TPH2
SCHEMBL6088018 0.84 MTNR1A (0.36) SMN1; SMN2DHFRTYMSMEN1TSHR
SCHEMBL7854341 0.84 TPH1 (0.33) SMN1; SMN2MEN1TSHRKMT2AMAPK1
SCHEMBL6086917 0.84 TSHR (0.34) SMN1; SMN2MEN1TSHRKMT2AKDM4E
SCHEMBL6087279 0.83 ALDH1A1 (0.33) SMN1; SMN2BRD4BRD2BRD3BRDT
SCHEMBL6087645 0.81 GRIN1 (0.44) PKMMAPK1HPGDALDH1A1ADORA3

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