SCHEMBL5453548

SCHEMBL5453548

O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
KDM4E B2RXH2 1/20 0.67
P2RX5 Q93086 1/20 0.65
P2RX4 Q99571 1/20 0.65
P2RX7 Q99572 1/20 0.65
P2RX2 Q9UBL9 1/20 0.65
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 2/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55

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
SCHEMBL14096350 0.89 SIRT2 (0.56) MAPTKDM4EP2RX5P2RX4P2RX7
SCHEMBL5448244 0.87 MAPT (0.86) MAPTKDM4EP2RX5P2RX4P2RX7
SCHEMBL5450571 0.86 MAPT (0.76) MAPTKDM4EP2RX5P2RX4P2RX7
SCHEMBL5448364 0.85 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5455590 0.85 MAPT (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5445610 0.84 MAPT (0.71) MAPTKDM4EP2RX4P2RX7P2RX2
SCHEMBL30542211 0.83 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2ACA1
SCHEMBL14095975 0.82 SIRT2 (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14095964 0.82 EPHX1 (0.63) MAPTKDM4EP2RX4ALDH1A1MEN1
SCHEMBL14095963 0.82 ALDH1A1 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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