SCHEMBL28181998

SCHEMBL28181998

CCCCOC(=O)c1ccc(C(=O)O)c(NN)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
TSHR P16473 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK1 P28482 3/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL27487328 0.83 ALDH1A1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL27459666 0.76 ALDH1A1 (0.49) CA12CA1CA2CA9TSHR
SCHEMBL12697419 0.74 CYP1A2 (0.60) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL28182000 0.73 TSHR (0.48) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL3885590 0.73 CYP1A2 (0.68) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL4858554 0.72 KMT2A (0.44) KMT2ACA1CA2TP53
SCHEMBL17713234 0.71 TSHR (0.62) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL828395 0.71 TSHR (0.62) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL11575455 0.71 TSHR (0.62) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL829178 0.71 TSHR (0.62) MEN1KMT2ATSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556367-A A kind of immunotherapy of tumors prediction biomarker PD L2 target polypeptides and its application 国家纳米科学中心 2018-01-09 CN claimed
CN-107459559-A A kind of immunotherapy of tumors prediction biomarker PD L1 target polypeptides and its application 国家纳米科学中心 2017-12-12 CN claimed
CN-107286222-A The polypeptide of targeting tumor stem cells mark CD133 a kind of and its application 国家纳米科学中心 2017-10-24 CN claimed
CN-107556367-A A kind of immunotherapy of tumors prediction biomarker PD L2 target polypeptides and its application 国家纳米科学中心 2018-01-09 CN disclosed
CN-107459559-A A kind of immunotherapy of tumors prediction biomarker PD L1 target polypeptides and its application 国家纳米科学中心 2017-12-12 CN disclosed
CN-107286222-A The polypeptide of targeting tumor stem cells mark CD133 a kind of and its application 国家纳米科学中心 2017-10-24 CN disclosed