SCHEMBL468135

SCHEMBL468135

CCc1csc(C(CNC(=O)[C@H](Cc2ccccc2)NC(C)=O)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 6/20 0.53
MMP2 P08253 1/20 0.45
CCR3 P51677 2/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PTPN1 P18031 4/20 0.43
PTPN2 P17706 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3569181 0.85 PTPRB (0.71) PTPRBCCR3
SCHEMBL468091 0.85 PTPRB (0.71) PTPRBCCR3
SCHEMBL468090 0.85 PTPRB (0.71) PTPRBCCR3
SCHEMBL27883944 0.85 PTPRB (0.71) PTPRBCCR3
SCHEMBL468277 0.84 MMP8 (0.44) PTPRBMMP2CCR3MEN1KMT2A
SCHEMBL1287147 0.83 OPRM1 (0.52) PTPRBCCR3MEN1KMT2ASMN1; SMN2
SCHEMBL3694833 0.82 MEN1 (0.45) PTPRBMMP2CCR3MEN1KMT2A
SCHEMBL19837047 0.81 ALDH1A1 (0.39) PTPRBMMP2CCR3MEN1KMT2A
SCHEMBL16060603 0.81 MMP2 (0.40) PTPRBMMP2CCR3MEN1KMT2A
SCHEMBL16059632 0.81 LMNA (0.39) CCR3MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed