SCHEMBL10914101

SCHEMBL10914101

CC(=O)c1ccc(ON)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 3/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
PDK1 Q15118 1/20 0.49
PDE7A Q13946 1/20 0.48
PRSS1 P07477 3/20 0.48
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL30825381 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL4337680 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL20285788 0.85 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL8800291 0.84 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL6742909 0.84 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL8800296 0.81 PDK1 (0.72) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL2339687 0.81 POLB (0.73) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL10915750 0.81 KMT2A (0.61) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL3743030 0.80 PRSS1 (0.61) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL11690925 0.79 CASP6 (0.69) ALDH1A1KMT2APOLBMAPTMEN1

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-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed