SCHEMBL4864240

SCHEMBL4864240

CC(=O)NCc1cc([N+](=O)[O-])ccc1O.COc1ccc([N+](=O)[O-])cc1CNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KCNMA1 Q12791 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL4856346 0.94 HTT (0.53) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL6607465 0.90 KMT2A (0.57) MEN1KMT2ACRHBPCRHR2TDP1
SCHEMBL6677228 0.79 RAB9A (0.51) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL6681877 0.78 GNRHR (0.49) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL2835652 0.77 MAPT (0.57) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL6675975 0.76 NQO2 (0.48) MEN1KMT2AMAPTCRHBPCRHR2
Hydrochloric Acid SCHEMBL7563670 0.76 MAPT (0.56) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL11193465 0.76 NQO2 (0.48) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL11192327 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL8460016 0.76 MTNR1A (0.50) MEN1KMT2AMAPTTDP1ALDH1A1

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-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed