SCHEMBL29633200

SCHEMBL29633200

CNc1cc(N)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CASP1 P29466 3/20 0.52
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
PDE10A Q9Y233 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41
PLA2G7 Q13093 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL293258 1.00 ALDH1A1 (0.54) ALDH1A1CASP1CYP3A4TSHRPDE10A
Hydrochloric Acid SCHEMBL11453440 0.98 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4TSHRPDE10A
Hydrochloric Acid SCHEMBL11438180 0.98 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL10735215 0.85 ALDH1A1 (0.45) ALDH1A1CASP1CYP3A4TSHRMAPT
SCHEMBL31621883 0.81 ALDH1A1 (0.54) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL3110533 0.81 ALDH1A1 (0.54) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL8033091 0.80 PRKCI (0.41) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL12065127 0.79 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL22778507 0.79 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL14541440 0.79 PLA2G7 (0.50) ALDH1A1CASP1CYP3A4TSHRPDE10A

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
EP-4010414-A1 IMPROVED METHOD OF RECYCLING POLYURETHANE MATERIALS Recticel (BE) 2022-06-15 EP disclosed