SCHEMBL26397

SCHEMBL26397

COCCC(=O)NC1CC(=O)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL25651 0.80 CA12 (0.47) LMNAKMT2A
SCHEMBL31055970 0.79 PBRM1 (0.46) LMNAGAAKMT2AKDM4EEDNRB
SCHEMBL31371502 0.77 GAA (0.42) LMNAGAAKDM4EEDNRBEDNRA
SCHEMBL31371464 0.74 KDM4E (0.60) LMNAGAAKDM4EEDNRBEDNRA
SCHEMBL17144723 0.71 EDNRB (0.43) KMT2AEDNRBEDNRAPBRM1SMN1; SMN2
SCHEMBL18421257 0.71 GAA (0.41) GAAKMT2AEDNRBEDNRAPBRM1
SCHEMBL18421246 0.71 GAA (0.41) GAAKMT2AEDNRBEDNRAPBRM1
SCHEMBL17144989 0.71 GAA (0.41) GAAKMT2AEDNRBEDNRAPBRM1
SCHEMBL18805600 0.67 GAA (0.49) LMNAGAAKDM4ERAB9ANPC1
SCHEMBL28108235 0.66 PBRM1 (0.46) LMNAKMT2AEDNRBEDNRAPBRM1

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-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed