SCHEMBL3562005

SCHEMBL3562005

CCN(C(=O)C1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 4/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 3/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL30581966 0.78 HDAC8 (0.45) F10KMT2AMEN1HDAC8PTPN1
SCHEMBL3562002 0.76 PTPN1 (0.58) ALDH1A1HPGDLMNAHDAC8PTPN1
SCHEMBL30581791 0.74 PTPN1 (0.46) F10HDAC8PTPN1TACR1
SCHEMBL6585678 0.74 PTPN1 (0.47) F10KMT2AMEN1HDAC8PTPN1
SCHEMBL30582004 0.72 PTPN1 (0.47) F10HDAC8PTPN1TACR1
SCHEMBL4648949 0.72 PTPN1 (0.45) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL24172862 0.72 PTPN1 (0.47) F10KMT2AMEN1HDAC8PTPN1
SCHEMBL30167025 0.72 PTPN1 (0.47) F10KMT2AMEN1HDAC8PTPN1
SCHEMBL3550883 0.72 PTPN1 (0.47) F10KMT2AMEN1HDAC8PTPN1
SCHEMBL30167036 0.72 PTPN1 (0.47) F10KMT2AMEN1HDAC8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed