SCHEMBL9213342

SCHEMBL9213342

C=CCNC(=O)C(Cl)CC=C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.42
HPGD P15428 6/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
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
SCHEMBL10980481 0.80
SCHEMBL28887297 0.78 SMN1; SMN2 (0.50) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL13470295 0.77
SCHEMBL303805 0.74 SMN1; SMN2 (0.45) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL4347265 0.73 MAPT (0.48) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL6890429 0.73 MAPT (0.48) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL14521227 0.73 MAPT (0.48) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL15627332 0.73 SMN1; SMN2 (0.48) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL107767 0.73 MAPT (0.48) TSHRSMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL27958358 0.73

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-0652876-A1 HERBICIDAL TRIAZINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-17 EP disclosed