SCHEMBL11239595

SCHEMBL11239595

CCN(CC)c1ccc(C2(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 8/20 0.37
RPS6KA2 Q15349 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT3 P40763 1/20 0.35
APP P05067 2/20 0.34
SNCA P37840 2/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP1 P29466 2/20 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
SCHEMBL11241233 0.87 HTT (0.35) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11237305 0.86 S100B (0.34) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11239691 0.86 ALDH1A1 (0.38) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11379713 0.86 ALDH1A1 (0.40) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11232619 0.86 FFAR4 (0.35) MAPTRPS6KA2HTTLMNASMN1; SMN2
SCHEMBL11364534 0.85 MAPT (0.41) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL9254824 0.85 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL9186491 0.84 ALDH1A1 (0.50) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11441219 0.84 RPS6KA2 (0.41) HSD17B10ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11243023 0.84 GFER (0.37) HSD17B10ALDH1A1CYP3A4HPGDHIF1A

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