SCHEMBL7534054

SCHEMBL7534054

CCCCON(CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL7529512 0.79 MEN1 (0.43) ALDH1A1MEN1KMT2ANPSR1TRPM8
SCHEMBL9417618 0.75 PLA2G2A (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25695968 0.75 HTR7 (0.50) ALDH1A1MEN1KMT2ATRPM8MAOB
SCHEMBL9417494 0.75 PLA2G2A (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27331113 0.72 TP53 (0.49) ALDH1A1MEN1KMT2ATRPM8HTT
SCHEMBL11792227 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9172890 0.70 PLA2G2A (0.67) ALDH1A1MEN1KMT2AMAPTCYSLTR2
SCHEMBL7570696 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
Dinitrophenylene SCHEMBL27891496 0.70 TRPM8 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL6325991 0.70 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2

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-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed