SCHEMBL7136012

SCHEMBL7136012

Cc1ccc(Oc2cccc(C=C3C(=O)Nc4c(Br)cc(Br)c(C)c43)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 10/20 0.51
MEN1 O00255 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 3/20 0.50
NTRK1 P04629 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.41
AKR1B1 P15121 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.40
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7134357 0.94 NTRK1 (0.53) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7132312 0.93 ADAMTS5 (0.50) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7131296 0.90 ADAMTS5 (0.54) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7131330 0.89 ADAMTS5 (0.52) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7137543 0.87 MEN1 (0.48) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7133303 0.87 AKR1B1 (0.45) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7134023 0.86 ADAMTS5 (0.43) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7130522 0.85 ADAMTS5 (0.51) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7137585 0.83 NTRK1 (0.56) ADAMTS5MEN1NPC1RAB9AKMT2A
SCHEMBL7138862 0.83 MAPT (0.47) MEN1NPC1RAB9AKMT2APOLB

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