SCHEMBL2455124

SCHEMBL2455124

c1ccc2c(c1)nc1c3ccsc3ncn21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
TOP2A P11388 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPK1 P28482 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALK Q9UM73 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9984386 0.77 KDM4E (0.65) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL16586809 0.76 KDM4E (0.63) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL1687647 0.74 HSD17B10 (0.49) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL14760387 0.71 KDM4E (0.45) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL17075223 0.70 KDM4E (0.48) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL14815485 0.70 HSD17B10 (0.48) KDM4EHSD17B10HPGDLMNATOP2A
SCHEMBL10049228 0.69 KDM4E (0.43) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL1687637 0.69 KDM4E (0.43) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL14815244 0.69 HPGD (0.40) KDM4EHSD17B10HPGDLMNAALDH1A1
SCHEMBL20091291 0.69 KDM4E (0.47) KDM4EHSD17B10HPGDLMNAALDH1A1

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 11 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
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