SCHEMBL9770714

SCHEMBL9770714

CCCC(=O)NC(=O)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
KDM4E B2RXH2 3/20 0.59
CTSD P07339 1/20 0.56
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 2/20 0.55
PPIA P62937 1/20 0.53
ALPL P05186 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GLA P06280 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9770719 0.92 MEN1 (0.69) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL9770823 0.91 MEN1 (0.71) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL9770798 0.90 MEN1 (0.70) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL1207169 0.83 ALDH1A1 (0.71) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL9770834 0.77 MEN1 (0.55) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL7800011 0.76 CTSD (0.56) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL4468688 0.76 CTSD (0.64) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL13753116 0.76 CTSD (0.64) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL13753006 0.75 CTSD (0.68) LMNAMEN1KMT2AKDM4ECTSD
SCHEMBL11298067 0.75 ALDH1A1 (0.72) LMNAMEN1KMT2AKDM4ECTSD

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-4987135-A Leukemia, melanoma ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-22 US claimed