SCHEMBL3289013

SCHEMBL3289013

Nc1cccc(-c2cccnc2-c2cccc(N)c2N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPRC P08575 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
PTPN13 Q12923 1/20 0.42
TDP2 O95551 3/20 0.42
NSD2 O96028 3/20 0.42
PAX8 Q06710 3/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL19463671 0.83 CD44 (0.50) MEN1BLMKMT2ATHRBTDP1
SCHEMBL11567609 0.79 ALDH1A1 (0.56) MEN1BLMKMT2ATHRBTDP1
SCHEMBL28486764 0.78 MKNK1 (0.44) MEN1BLMKMT2ALMNAHSP90AA1
SCHEMBL560128 0.78 ALDH1A1 (0.56) MEN1BLMKMT2ATHRBTDP1
SCHEMBL20379111 0.77 CD44 (0.42) MEN1BLMKMT2ATHRBTDP1
SCHEMBL9864141 0.76 TDP2 (0.41) MEN1BLMKMT2ATHRBTDP1
Methane SCHEMBL22720568 0.75 ALDH1A1 (0.53) MEN1BLMKMT2ATHRBTDP1
Hydrochloric Acid SCHEMBL4521251 0.75 ALDH1A1 (0.53) MEN1BLMKMT2ATHRBTDP1
SCHEMBL30615592 0.74 HTT (0.39) MEN1BLMKMT2ATDP1GAA
SCHEMBL21463674 0.74 HTT (0.39) MEN1BLMKMT2ATDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723460-B2 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2010-05-25 US disclosed
US-20070148465-A1 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2007-06-28 US disclosed