SCHEMBL6014050

SCHEMBL6014050

NC(=O)c1c(O)cccc1OCc1ccccc1.NC(=O)c1c(OCc2ccccc2)ccc([N+](=O)[O-])c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
MAOB P27338 2/20 0.43
POLB P06746 2/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
FOLH1 Q04609 1/20 0.40
PPIA P62937 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL6014059 0.93 CTSV (0.48) CTSVCTSLPOLBSENP8SENP7
SCHEMBL6358665 0.84 MAOB (0.56) MAOBTDP1L3MBTL1HTR1AADRA1D
SCHEMBL6823293 0.78 HTR1A (0.49) CTSVCTSLPOLBSENP8SENP7
SCHEMBL5594949 0.78 HTR1A (0.53) CTSVCTSLPOLBSENP8SENP7
SCHEMBL5743109 0.76 FOLH1 (0.57) TDP1L3MBTL1FOLH1
SCHEMBL6014056 0.74 MAPT (0.48) TDP1L3MBTL1FOLH1
SCHEMBL19336446 0.73 FOLH1 (0.62) MAOBTDP1L3MBTL1HTR1AADRA1D
SCHEMBL27739041 0.73 CTSV (0.49) CTSVCTSLPOLBSENP8SENP7
Hydrochloric Acid SCHEMBL891074 0.73 MAPT (0.47) TDP1L3MBTL1FOLH1
SCHEMBL1121791 0.73 HPD (0.49) TDP1L3MBTL1HTR1AADRA1DADRA1A

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
EP-1697302-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS University of Louisville Research Foundation (US) 2006-09-06 EP disclosed
WO-2005066114-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2005-07-21 WO disclosed