SCHEMBL7130639

SCHEMBL7130639

COC1CCCN1C=C1C(=O)Nc2ccc(CCCl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.37
CASP7 P55210 3/20 0.37
CASP9 P55211 1/20 0.37
LRRK2 Q5S007 5/20 0.36
RET P07949 3/20 0.35
SRC P12931 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
CASP1 P29466 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ABCB1 P08183 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LCK P06239 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 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
SCHEMBL7133818 0.82 MAPT (0.46) CASP3CASP7CASP9LRRK2RET
SCHEMBL7138414 0.77 SRC (0.49) CASP3CASP7CASP9SRCLCK
SCHEMBL5366802 0.72 LRRK2 (0.70) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL5368833 0.72 PLK4 (0.60) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL7133855 0.71 ERBB2 (0.53) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL5359476 0.71 ERBB2 (0.61) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL7138324 0.71 RET (0.50) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL7138244 0.71 CCNE1 (0.34) CASP3CASP7CASP9LRRK2RET
SCHEMBL7133851 0.71 MOGAT2 (0.51) CASP3CASP7CASP9CASP1
SCHEMBL5361384 0.70 MDM2 (0.54) RETPSEN1PSEN2APH1BNCSTN

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed