SCHEMBL28182000

SCHEMBL28182000

CCCCOC(=O)c1ccnc(NN)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL27520124 0.75 ALDH1A1 (0.52) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL28181998 0.73 MEN1 (0.46) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL9509719 0.71 LMNA (0.48) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL301816 0.70 TSHR (0.64) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL302697 0.70 TSHR (0.55) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL10863467 0.70 TSHR (0.55) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL28837901 0.70 LMNA (0.47) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL3779554 0.70 ALDH1A1 (0.64) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL3773227 0.70 ALDH1A1 (0.64) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL2137665 0.70 TSHR (0.73) TSHRL3MBTL1TDP1ALDH1A1HSD17B10

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