SCHEMBL6715110

SCHEMBL6715110

O=C(SS)C(CS)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 8/20 0.44
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
HCAR3 P49019 2/20 0.41

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
SCHEMBL6715102 0.91 CRHBP (0.48) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL6715106 0.91 CRHBP (0.48) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL1700749 0.86 CRHBP (0.53) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL1700747 0.86 CRHBP (0.53) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL2594586 0.78 ALDH1A1 (0.44) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL2594587 0.78 ALDH1A1 (0.44) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL9509221 0.76 CRHBP (0.54) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL7997158 0.76 CRHBP (0.54) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL4301791 0.75 CRHBP (0.56) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8742128 0.75 CRHBP (0.56) CRHBPCRHR2MAPTMAPK1TDP1

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-20040101901-A1 Novel lipophilic complexes for insertion of receptors into lipid membranes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-27 US disclosed