SCHEMBL7138013

SCHEMBL7138013

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
APP P05067 2/20 0.62
PSEN1 P49768 7/20 0.60
PSEN2 P49810 7/20 0.60
APH1B Q8WW43 7/20 0.60
NCSTN Q92542 7/20 0.60
APH1A Q96BI3 7/20 0.60
PSENEN Q9NZ42 7/20 0.60
FLT3 P36888 2/20 0.60
LRRK2 Q5S007 2/20 0.59
MDM2 Q00987 2/20 0.55
RAF1 P04049 3/20 0.53
RET P07949 2/20 0.53
MAP1LC3B Q9GZQ8 2/20 0.53
PIM1 P11309 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.53
ARAF P10398 1/20 0.53
BRAF P15056 1/20 0.53

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
SCHEMBL7137012 0.95 PSEN1 (0.64) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL7133876 0.91 MAPT (0.65) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL7132119 0.87 PSEN1 (0.69) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL5358413 0.84 RET (0.73) MAPTAPPLRRK2RAF1RET
SCHEMBL7137717 0.83 PPARG (0.65) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL7130470 0.82 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7132030 0.82 MAPT (0.69) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL7132251 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7132904 0.80 MAPT (0.74) MAPTAPPPSEN1PSEN2APH1B
SCHEMBL7133810 0.80 MAPT (0.62) MAPTAPPPSEN1PSEN2APH1B

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