SCHEMBL7136387

SCHEMBL7136387

O=C1Nc2ccc(CCCl)cc2C1=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.51
PSEN2 P49810 5/20 0.51
APH1B Q8WW43 5/20 0.51
NCSTN Q92542 5/20 0.51
APH1A Q96BI3 5/20 0.51
PSENEN Q9NZ42 5/20 0.51
LRRK2 Q5S007 7/20 0.49
RAF1 P04049 2/20 0.46
PLK4 O00444 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ULK1 O75385 1/20 0.43
KIF15 Q9NS87 1/20 0.43

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
SCHEMBL7140932 0.88 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7136650 0.85 LRRK2 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7135663 0.85 ADAMTS5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7133803 0.84 LRRK2 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7133824 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7137564 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5361803 0.84 LRRK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7139415 0.83 EGFR (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7134346 0.82 RAF1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5468627 0.82 LRRK2 (0.71) 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