SCHEMBL7138290

SCHEMBL7138290

CC(C)(C)c1ccc(Oc2cccc(C=C3C(=O)Nc4ccc(CCCl)cc43)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.52
PSEN1 P49768 5/20 0.43
PSEN2 P49810 5/20 0.43
APH1B Q8WW43 5/20 0.43
NCSTN Q92542 5/20 0.43
APH1A Q96BI3 5/20 0.43
PSENEN Q9NZ42 5/20 0.43
ERBB2 P04626 3/20 0.41
NTRK1 P04629 1/20 0.41
EGFR P00533 1/20 0.41
LRRK2 Q5S007 2/20 0.40
PLK4 O00444 1/20 0.40
PLK1 P53350 1/20 0.40
RET P07949 2/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7133885 0.90 MEN1 (0.49) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL7133923 0.90 RET (0.51) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL7136739 0.86 NR1H4 (0.43) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL7135663 0.86 ADAMTS5 (0.51) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL7139546 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7138324 0.84 RET (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7138552 0.84 ADAMTS5 (0.56) ADAMTS5ERBB2NTRK1EGFRLRRK2
SCHEMBL7135558 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7138836 0.80 MAOA (0.51) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL7130884 0.79 ADAMTS5 (0.51) ADAMTS5NTRK1

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