SCHEMBL7648

SCHEMBL7648

COc1ccc(C(C)CNc2c(C)noc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6655 0.89 MEN1 (0.42) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL4407 0.81 SMPD1 (0.42) MAPT
SCHEMBL6665 0.79 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL343959 0.78 LPAR1 (0.68) MEN1KMT2ALPAR1LPAR3ALDH1A1
SCHEMBL2096 0.77 MAPT (0.46) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL1406 0.76 LPAR1 (0.40) MEN1KMT2AHTTLPAR1LPAR3
SCHEMBL6984 0.76 LPAR1 (0.44) MEN1KMT2ALPAR1LPAR3ALDH1A1
SCHEMBL2106 0.76 MAPT (0.39) LPAR1LPAR3MAPTEDNRBEDNRA
SCHEMBL1166 0.75 LPAR1 (0.47) LPAR1LPAR3ALDH1A1MAPTGAA
SCHEMBL6364 0.72 LPAR1 (0.42) L3MBTL1LPAR1LPAR3ALDH1A1MAPT

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed