SCHEMBL28280233

SCHEMBL28280233

O=CNc1ccc(CCBr)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
P4HTM Q9NXG6 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14155652 0.79 IKBKE (0.34) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL212096 0.79 KDM4E (0.42) RAB9AKMT2AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5691852 0.77 RRM2 (0.38) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL13825386 0.75 CHRNB2 (0.40) RAB9AALDH1A1KDM4ETSHR
SCHEMBL27659324 0.75 RAB9A (0.43) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9426018 0.72 ALDH1A1 (0.46) TDP1MEN1KMT2AALDH1A1
SCHEMBL2322411 0.72 ALDH1A1 (0.50) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL27833168 0.70 ALDH1A1 (0.43) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL210364 0.69 ALDH1A1 (0.37) TDP1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13403362 0.68 PTGS1 (0.41) RAB9AMEN1KMT2AALDH1A1NPC1

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
CN-109422675-A A kind of New Style Monamine Oxidase Inhibition draws the synthetic method of shellfish amine 重庆师范大学 2019-03-05 CN disclosed