SCHEMBL2457583

SCHEMBL2457583

c1ccc2c3c([nH]c2c1)-c1cncn1CC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
HTR1A P08908 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CYP1A2 P05177 6/20 0.45
CYP1A1 P04798 5/20 0.45
CYP1B1 Q16678 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 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
SCHEMBL4701411 0.79 KDM4E (0.56) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL14345705 0.78 BCHE (0.50) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL14345747 0.68 CYP1A1 (0.51) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL25219690 0.67 BCHE (0.70) KDM4EKMT2APOLBMAPTHTR1A
SCHEMBL13100351 0.67 CYP1A2 (0.50) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL14345950 0.66 CYP1A2 (0.49) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL31268135 0.65 BCHE (0.69) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL24753891 0.65 BCHE (0.69) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL2775088 0.65 IDO1 (0.69) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1311759 0.65 KDM4E (0.64) KDM4EMEN1KMT2APOLBMAPT

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 12 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