SCHEMBL7136343

SCHEMBL7136343

COc1cccc(C=C2C(=O)Nc3c(Br)cc(Br)cc32)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NTRK1 P04629 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LRRK2 Q5S007 1/20 0.48
PIM1 P11309 1/20 0.48
AKR1B1 P15121 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
APP P05067 1/20 0.46
PSD A5PKW4 1/20 0.44
GAA P10253 2/20 0.44
PLK4 O00444 1/20 0.44
MDM2 Q00987 1/20 0.42

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
SCHEMBL7139935 0.92 NTRK1 (0.56) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL7137585 0.85 NTRK1 (0.56) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL5377009 0.85 CISD1 (0.48) MEN1KMT2ANTRK1POLBPIM1
SCHEMBL7133868 0.84 PIM1 (0.45) MEN1KMT2ANTRK1ALDH1A1MAPT
SCHEMBL7135649 0.83 NTRK1 (0.53) MEN1KMT2ANTRK1NPC1RAB9A
SCHEMBL7139478 0.83 ADAMTS5 (0.55) MEN1KMT2ANTRK1POLBNPC1
SCHEMBL7135159 0.83 LRRK2 (0.48) NTRK1LRRK2PIM1PIM2PLK4
SCHEMBL7134041 0.82 ADAMTS5 (0.53) MEN1KMT2ANTRK1POLBNPC1
SCHEMBL5358437 0.82 LRRK2 (0.49) MEN1KMT2ANTRK1POLBLRRK2
SCHEMBL7139028 0.82 NTRK1 (0.52) MEN1KMT2ANTRK1ALDH1A1POLB

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