SCHEMBL1933

SCHEMBL1933

Cc1noc(-c2ccc(Br)cc2)c1C(C=O)SCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 3/20 0.34
LPAR2 Q9HBW0 2/20 0.34
TP53 P04637 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GAA P10253 1/20 0.32
BRD4 O60885 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1853 0.85 EPHX1 (0.41) EPHX1LMNARAB9ABRD4
SCHEMBL6561 0.84 LPAR1 (0.34) RAB9ASMN1; SMN2LPAR1LPAR3NR1H4
SCHEMBL2087 0.81 EPHX1 (0.35) EPHX1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL6943 0.81 EPHX1 (0.35) EPHX1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL7689 0.81 CYP1A2 (0.31)
SCHEMBL11409 0.78 TP53 (0.31) TP53BRD4MAPT
SCHEMBL1625 0.78 AR (0.37) LMNARAB9AL3MBTL1SMN1; SMN2LPAR1
SCHEMBL6672 0.77 TP53 (0.37) LMNARAB9AL3MBTL1SMN1; SMN2LPAR1
SCHEMBL6830 0.77 RAB9A (0.34) LMNARAB9AL3MBTL1SMN1; SMN2LPAR1
SCHEMBL2086 0.76 LPAR1 (0.38) LMNARAB9AL3MBTL1SMN1; SMN2LPAR1

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 4 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
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed