SCHEMBL6091562

SCHEMBL6091562

Cc1[nH]c(/C=C2/C(=O)NN=C2c2cccs2)c(C2CC2)c1CCCCNC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALK Q9UM73 1/20 0.34
KDR P35968 4/20 0.33
CHEK1 O14757 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
NTSR1 P30989 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL6091568 1.00 LMNA (0.35) LMNASMN1; SMN2ALKKDRCHEK1
SCHEMBL6089392 0.86 KDR (0.37) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6089412 0.86 KDR (0.37) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6090035 0.85 KDR (0.40) LMNASMN1; SMN2ALKKDRCHEK1
SCHEMBL6090043 0.85 KDR (0.40) LMNASMN1; SMN2ALKKDRCHEK1
SCHEMBL6090059 0.85 LMNA (0.34) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6090050 0.85 LMNA (0.34) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6088419 0.85 KDR (0.36) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6088415 0.85 KDR (0.36) LMNASMN1; SMN2KDRCHEK1
SCHEMBL6088724 0.84 KDR (0.35) LMNASMN1; SMN2KDRCHEK1

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed