SCHEMBL7130470

SCHEMBL7130470

CCCOc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.65
PSEN2 P49810 7/20 0.65
APH1B Q8WW43 7/20 0.65
NCSTN Q92542 7/20 0.65
APH1A Q96BI3 7/20 0.65
PSENEN Q9NZ42 7/20 0.65
FLT3 P36888 2/20 0.58
LRRK2 Q5S007 2/20 0.58
MDM2 Q00987 2/20 0.54
RET P07949 3/20 0.49
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL7138842 0.96 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7136655 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7135851 0.88 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7133824 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7139020 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7137564 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7135558 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7138013 0.82 MAPT (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7140932 0.82 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5361803 0.81 LRRK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A

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