SCHEMBL9839725

SCHEMBL9839725

C[C@H](NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
MYOC Q99972 1/20 0.38

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
SCHEMBL468592 0.98 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL8330156 0.92 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL5943202 0.87 SSTR3 (0.45) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL3314831 0.85 TACR1 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL8351160 0.83 MMP1 (0.45) MEN1KMT2AMAPT
SCHEMBL4898719 0.80 TACR1 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL3926322 0.80 TACR1 (0.41) LMNASMN1; SMN2HPGD
SCHEMBL1078320 0.78 TACR1 (0.42) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3513112 0.76 FKBP4 (0.44) SMN1; SMN2HPGDMAPT
SCHEMBL366333 0.76 TACR1 (0.51) MAPT

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-4985361-A GENETIC ENGINEERING SANKYO COMPANY, LIMITED (JP) 1991-01-15 US disclosed