SCHEMBL5455590

SCHEMBL5455590

O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
RAB9A P51151 2/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDPK1 O15530 1/20 0.54
CYTH3 O43739 1/20 0.54
AKT1 P31749 1/20 0.54
ALOX5 P09917 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL5453548 0.85 MAPT (0.67) MAPTRAB9AALDH1A1HPGDMEN1
SCHEMBL5445610 0.81 MAPT (0.71) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL30542211 0.80 ALDH1A1 (0.60) MAPTNPC1ALDH1A1HPGDMEN1
SCHEMBL14096534 0.76 RAB9A (0.62) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL14096350 0.76 SIRT2 (0.56) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL5448364 0.76 ALDH1A1 (0.66) MAPTRAB9ANPC1POLBALDH1A1
SCHEMBL5448244 0.76 MAPT (0.86) MAPTRAB9ANPC1POLBALDH1A1
SCHEMBL5450571 0.75 MAPT (0.76) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL13454585 0.75 GPR55 (0.67) MAPTRAB9ANPC1POLBALDH1A1
SCHEMBL12838838 0.73 ALDH1A1 (0.61) MAPTRAB9ANPC1POLBALDH1A1

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
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
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