SCHEMBL3362950

SCHEMBL3362950

CCc1cccc(C(Br)(Br)C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
BCL2 P10415 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2A6 P11509 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3362932 0.79 PLK1 (0.41) KIF11MGLLMEN1KMT2ATP53
SCHEMBL18242556 0.74 MGLL (0.47) KIF11MGLLTP53BCL2HTR2A
SCHEMBL9153494 0.73 KIF11 (0.40) KIF11MGLLMEN1KMT2ATP53
Propionaldehyde SCHEMBL27907303 0.73 TP53 (0.46) MGLLTP53BCL2CYP1A2CYP2A6
SCHEMBL5971259 0.73 KIF11 (0.53) KIF11MGLLTP53HTR2AHTR2B
SCHEMBL30573009 0.73 KIF11 (0.49) KIF11MGLLTP53HTR2AHTR2B
SCHEMBL1653927 0.73 KIF11 (0.49) KIF11MGLLTP53HTR2AHTR2B
SCHEMBL16105424 0.73 KIF11 (0.49) KIF11MGLLTP53BCL2HTR2A
Formic Acid SCHEMBL27266665 0.73 BCL2 (0.47) MGLLMEN1KMT2ATP53BCL2
SCHEMBL3362928 0.72 KCNN4 (0.48) KIF11CYP1A2NPC1MAPK1RAB9A

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed