SCHEMBL6086972

SCHEMBL6086972

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
GRM2 Q14416 2/20 0.39
TSHR P16473 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALOX5AP P20292 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRM5 P08912 1/20 0.36
GRIN2B Q13224 1/20 0.36
DDR1 Q08345 2/20 0.35
DAO P14920 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL6086864 0.86 HPGD (0.44) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL6087425 0.85 TYMS (0.45) TYMSGRM2TSHRHCRTR1HCRTR2
SCHEMBL6087044 0.85 SMN1; SMN2 (0.37) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL7847016 0.84 TYMS (0.46) TYMSTSHRHCRTR1HCRTR2ALOX5AP
SCHEMBL6087627 0.83 TSHR (0.34) TSHRALDH1A1MAPTKDM4EGRIN2B
SCHEMBL6088338 0.82 TYMS (0.44) TYMSTSHRHCRTR1HCRTR2ALOX5AP
SCHEMBL6087460 0.82 TYMS (0.44) TYMSGRM2TSHRHCRTR1HCRTR2
SCHEMBL6086259 0.82 GRIN1 (0.37) ALDH1A1KMT2AKDM4EGRIN2BDAO
SCHEMBL6086604 0.82 DRD1 (0.33) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL6087014 0.81 DAO (0.46) TSHRALDH1A1MAPTMEN1KMT2A

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