SCHEMBL5457060

SCHEMBL5457060

COc1ccc(OC)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
EPHX1 P07099 1/20 0.64
HTT P42858 1/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
SETD7 Q8WTS6 1/20 0.57
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL4251085 0.89 MAPT (0.70) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL28435408 0.85 EPHX1 (0.83) ALDH1A1EPHX1HTTMAPTMEN1
SCHEMBL8372271 0.79 KMT2A (0.77) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL18459114 0.78 KMT2A (0.59) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL13454726 0.77 ALDH1A1 (0.70) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL6155611 0.76 MAPT (0.63) ALDH1A1EPHX1MAPTMEN1KMT2A
SCHEMBL4254980 0.76 TP53 (0.75) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL5453730 0.76 MAPT (0.78) ALDH1A1EPHX1HTTMAPTMEN1
SCHEMBL5445810 0.76 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL11163863 0.76 EPHX1 (0.65) ALDH1A1EPHX1MAPTMEN1KMT2A

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