SCHEMBL9268117

SCHEMBL9268117

COC(=O)CNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
CTSD P07339 1/20 0.60
ALDH1A1 P00352 5/20 0.59
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13108487 0.87 CTSD (0.59) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL1206625 0.85 CTSD (0.60) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL1206956 0.85 CTSD (0.64) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL3897907 0.83 CTSD (0.66) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL10602289 0.83 CTSD (0.70) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL7301828 0.82 RAB9A (0.59) HPGDCTSDALDH1A1HTTLMNA
SCHEMBL13753006 0.81 CTSD (0.68) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL18130511 0.81 PKM (0.46) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10540843 0.80 CTSD (0.57) HPGDCTSDALDH1A1HTTSMN1; SMN2
SCHEMBL12894737 0.79 CTSD (0.60) HPGDCTSDALDH1A1HTTLMNA

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-5438035-A Herbicides AMERICAN CYANAMID COMPANY (US) 1995-08-01 US disclosed