SCHEMBL11241233

SCHEMBL11241233

CCN(CC)c1ccc(C2(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3ncccc32)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.35
LMNA P02545 2/20 0.35
STAT3 P40763 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
IGLV6-57 P01721 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 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 0.90 S100B (0.34) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL11239595 0.87 HSD17B10 (0.38) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL11237151 0.86 LMNA (0.32) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL11235691 0.84 CNR2 (0.36) HTTLMNASTAT3SMN1; SMN2MAPT
SCHEMBL9182528 0.84 ALDH1A1 (0.45) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL11379713 0.83 ALDH1A1 (0.40) LMNASMN1; SMN2NPSR1CYP2C19MAPT
SCHEMBL11364534 0.82 MAPT (0.41) LMNASMN1; SMN2NPSR1GFERMAPT
SCHEMBL11233667 0.82 RPS6KA2 (0.37) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL9184148 0.82 MAPT (0.39) HTTLMNASTAT3SMN1; SMN2NPSR1
SCHEMBL11441219 0.81 RPS6KA2 (0.41) LMNASMN1; SMN2NPSR1CYP2C19MAPT

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