SCHEMBL6870816

SCHEMBL6870816

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[N+]2(C(=O)OCc3ccccc3)CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NTSR1 P30989 1/20 0.47
SYK P43405 1/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
TACR1 P25103 1/20 0.42
HDAC1 Q13547 2/20 0.41
PLAU P00749 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8216557 0.82 ALDH1A1 (0.42) KMT2ASYKTDP1MAPK1POLB
SCHEMBL14485285 0.80 SYK (0.62) MEN1KMT2ANTSR1SYKMAPT
SCHEMBL7770018 0.79 L3MBTL1 (0.47) MEN1KMT2AMAPTTDP1GPR55
SCHEMBL11233359 0.76 ALDH1A1 (0.45) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3838871 0.76 CA12 (0.63) MEN1KMT2ASYKNAMPTHDAC1
SCHEMBL6288470 0.76 SYK (0.57) MEN1KMT2ANTSR1SYKMAPT
SCHEMBL9391305 0.75 ALDH1A1 (0.45) KMT2ATDP1MAPK1CA12CA7
SCHEMBL3940116 0.74 NAMPT (0.60) MEN1KMT2ANTSR1SYKMAPT
SCHEMBL7766570 0.74 MEN1 (0.41) MEN1KMT2ANTSR1SYKMAPT
SCHEMBL15873960 0.74 SYK (0.50) MEN1KMT2ANTSR1SYKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244643-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-06-16 EP disclosed
EP-1244643-A1 TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2002-10-02 EP disclosed
WO-2001046168-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-06-28 WO disclosed