SCHEMBL5455380

SCHEMBL5455380

CN(C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 1/20 0.48
POLB P06746 3/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MAPT P10636 6/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NLRP3 Q96P20 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL2988744 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL5458081 0.73 NPC1 (0.52) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL5455377 0.71 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL27815181 0.71 MAPT (0.67) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL2153154 0.70 MMP1 (0.75) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL31384411 0.69 MEN1 (0.60) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL14861314 0.69 MAPT (0.60) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11059936 0.68 GAA (0.72) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL11060793 0.68 KDM4E (0.68) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL223451 0.68 MAPT (0.63) ALDH1A1KDM4EMEN1KMT2APOLB

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