SCHEMBL4737543

SCHEMBL4737543

CCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
ALDH1A1 P00352 2/20 0.79
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
NPBWR1 P48145 1/20 0.76
MCHR1 Q99705 1/20 0.76
LMNA P02545 3/20 0.61
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
THRB P10828 1/20 0.55
GAA P10253 1/20 0.53
BLM P54132 1/20 0.52

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
SCHEMBL3457625 0.88 SMN1; SMN2 (1.00) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30361161 0.86 SMN1; SMN2 (0.77) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4731357 0.83 CA12 (0.61) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30361143 0.81 HTT (0.68) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL27182285 0.80 HTT (0.80) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15292803 0.79 SMN1; SMN2 (0.69) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10719972 0.79 HTT (0.78) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10723602 0.78 MGLL (0.67) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3455702 0.76 HTT (0.91) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3459407 0.76 HTT (0.63) HTTSMN1; SMN2ALDH1A1MEN1KMT2A

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed