SCHEMBL15499151

SCHEMBL15499151

Cc1nc2c(ncn2CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
P2RX3 P56373 1/20 0.39
HPRT1 P00492 5/20 0.38
TK1 P04183 1/20 0.38

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
SCHEMBL15499106 0.90 TK1 (0.50) HPRT1TK1
SCHEMBL15496826 0.80 HPRT1 (0.49) HPRT1TK1
SCHEMBL8627294 0.78 ALDH1A1 (0.50)
SCHEMBL15496835 0.74 DAO (0.43) PTPN1
SCHEMBL15496837 0.73 P2RX3 (0.43) PTPN1P2RX3
SCHEMBL23860004 0.70 ARG1 (0.49) PTPN1
SCHEMBL1082633 0.70 PPARA (0.42) PTPN1P2RX3
SCHEMBL23860001 0.70 ARG1 (0.49) PTPN1
SCHEMBL15496828 0.70 PPARA (0.43) PTPN1P2RX3
SCHEMBL15496827 0.70 HDAC6 (0.47)

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-20140065223-A1 PERFLUORINATED COMPOUNDS FOR THE NON-VIRAL TRANSFER OF NUCLEIC ACIDS Libera-Koerner, Jeanette (DE) 2014-03-06 US disclosed