SCHEMBL12844571

SCHEMBL12844571

CN(C)c1ccc(N=Nc2sc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL14438699 0.87 MMP14 (0.40) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL12776702 0.85 TSHR (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL887548 0.82 MAPT (0.49) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL21771039 0.82 MAPT (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL1098885 0.81 ALDH1A1 (0.44) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL1098887 0.81 ALDH1A1 (0.44) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL12776704 0.79 MAPT (0.37) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL2070679 0.78 MMP14 (0.45) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL2070680 0.78 MMP14 (0.45) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL15693775 0.78 MMP14 (0.35) MAPTNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897735-B2 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-03-01 US disclosed
US-7880165-B2 Molecular electronic device including electrode having conductive polymer electrode layer ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-02-01 US disclosed
US-20100090210-A1 COMPOUND HAVING THIOL ANCHORING GROUP, METHOD OF SYNTHESIZING THE SAME, AND MOLECULAR ELECTRONIC DEVICE HAVING MOLECULAR ACTIVE LAYER FORMED USING THE COMPOUND LEE HYOYOUNG 2010-04-15 US disclosed
US-20090294762-A1 COMPOUND HAVING THIOL ANCHORING GROUP, METHOD OF SYNTHESIZING THE SAME, AND MOLECULAR ELECTRONIC DEVICE HAVING MOLECULAR ACTIVE LAYER FORMED USING THE COMPOUND LEE HYOYOUNG 2009-12-03 US disclosed
US-7538199-B2 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2009-05-26 US disclosed