SCHEMBL7859259

SCHEMBL7859259

COc1cccc2c(C=C(C)[N+](=O)[O-])c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ HTR2A P28223 1/20 0.42
▸ HTR6 P50406 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ DYRK1A Q13627 2/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ RXFP3 Q9NSD7 1/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 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
SCHEMBL7859256 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL5646738 0.83 LTA4H (0.48) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL5646742 0.83 LTA4H (0.48) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL19420159 0.81 PIM1 (0.55) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL30740811 0.79 PRMT1 (0.58) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL29103652 0.79 PRMT1 (0.58) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL2537636 0.79 PRMT1 (0.58) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL2537633 0.79 PRMT1 (0.58) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL1418447 0.76 TRIM24 (0.63) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL8129328 0.76 FBP1 (0.54) ALDH1A1KDM4EHPGDKMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 — — EP disclosed
US-5817689-A ADRENERGIC RECEPTOR-STIMULATING AGENT, OBESITY, DIABETES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 — — US disclosed
EP-0801059-A1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-10-15 — — EP disclosed
Send feedback