SCHEMBL9854612

SCHEMBL9854612

COc1ccc2c(c1)O[N+](=O)CC2=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.50
MAOB P27338 6/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTR2C P28335 1/20 0.42

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
SCHEMBL68899 0.78 MAPT (0.59) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
SCHEMBL31689707 0.78 MAPT (0.59) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
SCHEMBL6590831 0.75 MAOB (0.46) MAOB
SCHEMBL10963283 0.73 MAOB (0.52) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
SCHEMBL67621 0.72 MAOB (0.60) CYP19A1MAOBCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL16334358 0.72 MAOB (0.51) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
Cyclopropane SCHEMBL28516873 0.71 MAOB (0.59) CYP19A1MAOBCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL26767783 0.71 MAPT (0.52) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
SCHEMBL10334859 0.70 MAOB (0.52) CYP19A1MAOBCYP3A4ALDH1A1KDM4E
SCHEMBL31260255 0.70 MAOB (0.64) MAOBALDH1A1KDM4ESMN1; SMN2LMNA

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-0412851-A2 Photosensitive member and multi-color image forming method CANON KABUSHIKI KAISHA (JP) 1991-02-13 EP disclosed