SCHEMBL3207483

SCHEMBL3207483

CC(C)COc1ccc2c(c1)C(=N)NC2=N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
XDH P47989 2/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
TRIM24 O15164 1/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABL1 P00519 1/20 0.36
HPGD P15428 3/20 0.36
XBP1 P17861 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7815236 0.81 MEN1 (0.35) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL11189556 0.81 NQO1 (0.46) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL7824068 0.78 KMT2A (0.49) PDK2MAOAKDM4EALDH1A1POLB
SCHEMBL29546372 0.74 CA1 (0.47) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL3138724 0.74 CA1 (0.47) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL7830756 0.74 NR5A1 (0.47) PDK2KDM4EALDH1A1MAPTNPC1
SCHEMBL339174 0.73 PDK2 (0.50) PDK2XDHMAOAKDM4EALDH1A1
SCHEMBL7826144 0.72 PDK2 (0.34) PDK2XDHAAK1
SCHEMBL9642322 0.72 MAPT (0.48) PDK2BRD4CREBBPXDHMAOA
SCHEMBL5158074 0.72 ALDH1A1 (0.45) PDK2XDHMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554392-B1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME MITSUBISHI PAPER MILLS LTD (JP) 2016-05-11 EP disclosed
CN-102917883-B Method for manufacturing Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD 2015-01-14 CN disclosed
US-8623785-B2 Thermal recording material and method for producing the same MITSUBISHI PAPER MILLS LIMITED (JP) 2014-01-07 US disclosed
US-20130053240-A1 THERMAL RECORDING MATERIAL AND METHOD FOR PRODUCING THE SAME MITSUBISHI PAPER MILLS LIMITED (JP) 2013-02-28 US disclosed
EP-2554392-A1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME Mitsubishi Paper Mills Limited (JP) 2013-02-06 EP disclosed
US-8183175-B2 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2012-05-22 US disclosed
US-20100062195-A1 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2010-03-11 US disclosed
US-20070026259-A1 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2007-02-01 US disclosed