SCHEMBL31017201

SCHEMBL31017201

COC(=O)c1ccc2nc(C(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 5/20 0.55
MAPK1 P28482 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MGAM O43451 1/20 0.49
LCK P06239 1/20 0.48
PTPN11 Q06124 2/20 0.47
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL1665704 0.86 HTT (0.56) HTTALOX15KDM4EMAPK1L3MBTL1
SCHEMBL264131 0.85 HTT (0.55) HTTALOX15KDM4EMAPK1L3MBTL1
SCHEMBL69982 0.83 MGAM (0.58) ALOX15KDM4EL3MBTL1MGAMKDM6B
SCHEMBL4302176 0.82 MGAM (0.53) ALOX15KDM4EMGAMALDH1A1PDE4B
SCHEMBL15484343 0.82 MGAM (0.56) ALOX15KDM4EL3MBTL1MGAMKDM6B
SCHEMBL4540728 0.81 HTT (0.60) HTTALOX15KDM4EMAPK1L3MBTL1
SCHEMBL30718816 0.81 HTT (0.60) HTTALOX15KDM4EL3MBTL1LCK
SCHEMBL17203103 0.81 HTT (0.60) HTTALOX15KDM4EL3MBTL1LCK
SCHEMBL23535667 0.79 HTT (0.59) HTTALOX15KDM4EL3MBTL1LCK
SCHEMBL31413386 0.79 HTT (0.59) HTTALOX15KDM4EL3MBTL1LCK

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
CN-118359604-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 CN disclosed