SCHEMBL5172912

SCHEMBL5172912

CC(C)C1C(c2ccc([N+](=O)[O-])cc2)N1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
HSD17B10 Q99714 2/20 0.40
ACHE P22303 1/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES1 P23141 1/20 0.38
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GRIA4 P48058 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL11572125 0.74 RECQL (0.49) EPHX1HSD17B10ACHERECQLLMNA
SCHEMBL27547133 0.71 EPHX1 (0.47) EPHX1HSD17B10ACHERECQLLMNA
SCHEMBL17643989 0.70 MMP2 (0.53) ACHELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19384141 0.70 MMP2 (0.53) ACHELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27855209 0.68 HSD17B10 (0.64) HSD17B10ACHERECQLLMNAMAPK1
Methyl Alcohol SCHEMBL27456236 0.67 HSD17B10 (0.70) HSD17B10ACHERECQLLMNAMAPK1
SCHEMBL20529341 0.67 KMT2A (0.50) EPHX1LMNAMEN1KMT2AGAA
SCHEMBL28741166 0.67 EPHX1 (0.77) EPHX1HSD17B10ACHERECQLLMNA
SCHEMBL5169952 0.66 EPHX1 (0.49) EPHX1HSD17B10ACHERECQLLMNA
Hydrogen Peroxide SCHEMBL28789390 0.65 ALDH1A1 (0.72) HSD17B10ACHELMNAMAPK1MEN1

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
EP-1343752-B1 METHOD FOR PRODUCING N-SUBSTITUTED HYDROXYLAMINES AND THE SALTS THEREOF SALTIGO GMBH (DE) 2007-05-02 EP claimed