SCHEMBL28797147

SCHEMBL28797147

COC(=O)C(N)(Cc1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
DGAT1 O75907 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
PTPRB P23467 2/20 0.37
HIF1A Q16665 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
BLM P54132 1/20 0.36
PRKCZ Q05513 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL29082843 0.90 DGAT1 (0.41) SMN1; SMN2LMNADGAT1PTPRBHIF1A
SCHEMBL27587968 0.90 DGAT1 (0.41) SMN1; SMN2LMNADGAT1PTPRBHIF1A
SCHEMBL27850077 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2ACTSSCTSK
SCHEMBL16553913 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2ACTSSCTSK
SCHEMBL27867247 0.88 BLM (0.50) SMN1; SMN2KMT2ACTSSCTSKDGAT1
SCHEMBL8609662 0.87 SMN1; SMN2 (0.53) SMN1; SMN2RECQLDGAT1PTPRBHIF1A
SCHEMBL8609659 0.87 SMN1; SMN2 (0.53) SMN1; SMN2RECQLDGAT1PTPRBHIF1A
SCHEMBL28790671 0.83 ALDH1A1 (0.40) SMN1; SMN2KMT2ANPC1RAB9ADGAT1
SCHEMBL27726815 0.83 CTSB (0.44) LMNACTSSCTSKL3MBTL1KDM4E
SCHEMBL27477063 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKMT2ARECQLKDM4E

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-102378574-A Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2012-03-14 CN disclosed