SCHEMBL5246607

SCHEMBL5246607

COc1ccc(-c2ccccc2CBr)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.46
HTR7 P34969 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
PDE4A P27815 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKCZ Q05513 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9289360 0.85 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1HTR7NPC1
SCHEMBL28050607 0.84 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1HTR7NPC1
SCHEMBL30452106 0.82 KDM4E (0.57) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL2096587 0.81 ABCB1 (0.44) MEN1KMT2AL3MBTL1HTR7NPC1
SCHEMBL23638842 0.80 ABCB1 (0.61) KDM4E
SCHEMBL30451526 0.80 ABCB1 (0.61) KDM4E
SCHEMBL1515714 0.80 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1HTR7NPC1
SCHEMBL28008884 0.79 KDM4E (0.46) MEN1KMT2AHTR7ALDH1A1KDM4E
SCHEMBL6048564 0.78 HTR7 (0.55) MEN1KMT2AHTR7
SCHEMBL5306327 0.78 TAAR1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed