SCHEMBL6652

SCHEMBL6652

COc1cccc(SC(C=O)c2c(C)noc2-c2ccc(Br)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TERT O14746 1/20 0.33
BRD4 O60885 3/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6561 0.85 LPAR1 (0.34) RAB9ASMN1; SMN2EDNRBEDNRANPC1
SCHEMBL6698 0.83 MEN1 (0.38) MEN1KMT2ARAB9AHPGDNPSR1
SCHEMBL6697 0.79 MTNR1A (0.40) MEN1KMT2ARAB9AHPGDNPSR1
SCHEMBL20425444 0.78 MTNR1A (0.42) KMT2ARAB9AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL11409 0.74 TP53 (0.31) TP53EDNRBEDNRABRD4TDP1
SCHEMBL6651 0.73 MAPT (0.41) MEN1KMT2AHPGDMTNR1AMTNR1B
SCHEMBL1933 0.72 EPHX1 (0.34) MEN1KMT2ARAB9AHPGDTP53
SCHEMBL7689 0.71 CYP1A2 (0.31) TDP1
SCHEMBL1448 0.71 BRD4 (0.35) MEN1KMT2ARAB9AHPGDNPSR1
SCHEMBL2762295 0.71 FPR2 (0.40) MEN1KMT2ARAB9AHPGDTP53

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