SCHEMBL2423308

SCHEMBL2423308

O=c1n2cccc2c2cccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
RXFP1 Q9HBX9 4/20 0.35
GLA P06280 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
PTPN1 P18031 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN2 P17706 1/20 0.35
LMNA P02545 2/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
MAPT P10636 1/20 0.33
GABRA5 P31644 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14088768 0.77 MEN1 (0.47) PARP1MEN1KMT2ATP53ALDH1A1
SCHEMBL21419931 0.71 PARP1 (0.46) PARP1TP53KDM4EGABRA5CHEK1
SCHEMBL21405585 0.66 PARP1 (0.50) PARP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9910994 0.65 MEN1 (0.46) PARP1MEN1KMT2ATP53RXFP1
SCHEMBL12092119 0.63 GPR3 (0.48) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL19054481 0.62 GPR3 (0.41) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL24862267 0.59 KDM4E (0.40) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1520676 0.59 KDM4E (0.67) ALDH1A1KDM4EHSD17B10LMNAAPEX1
SCHEMBL29798837 0.59 CYP1A2 (0.55) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL259890 0.59 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed