SCHEMBL5454028

SCHEMBL5454028

Cc1ccc(NC(=S)NC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.67
KMT2A Q03164 10/20 0.62
MEN1 O00255 9/20 0.62
MAPT P10636 7/20 0.62
ALDH1A1 P00352 5/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
HPGD P15428 2/20 0.60
ALOX12 P18054 1/20 0.60
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4357526 0.86 ALDH1A1 (0.50) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL2788761 0.84 KMT2A (0.68) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL14662579 0.81 PPIA (0.67) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL14662373 0.80 PPIA (0.66) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL3285738 0.80 PPIA (0.70) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL27479406 0.78 ALDH1A1 (0.69) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL8362216 0.77 ALDH1A1 (0.55) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL2312499 0.77 KMT2A (0.75) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL11326938 0.77 KMT2A (0.85) PPIAKMT2AMEN1MAPTALDH1A1
SCHEMBL2312502 0.77 KMT2A (0.75) PPIAKMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed