SCHEMBL11233667

SCHEMBL11233667

CCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(=O)c3nccnc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.37
S100B P04271 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 2/20 0.34
GLA P06280 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
IGLV6-57 P01721 1/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 8/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
HTT P42858 4/20 0.33
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 3/20 0.33

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
SCHEMBL11237305 0.93 S100B (0.34) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11241310 0.86 CNR2 (0.32) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL11244078 0.85 MEN1 (0.36) ALDH1A1HPGDCYP3A4MAPTMEN1
SCHEMBL8944016 0.83 S100B (0.38) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11241233 0.82 HTT (0.35) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11235691 0.81 CNR2 (0.36) RPS6KA2MAPTKMT2AHTTSMN1; SMN2
SCHEMBL11380886 0.81 RPS6KA2 (0.44) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11239287 0.80 NPSR1 (0.38) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11246307 0.80 NPSR1 (0.38) RPS6KA2S100BALDH1A1HSD17B10CASP1
SCHEMBL11239595 0.79 HSD17B10 (0.38) RPS6KA2S100BALDH1A1HSD17B10CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed