SCHEMBL7484197

SCHEMBL7484197

CC(CO)Nc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3c(c2)OCO3)c1NC(C)CO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.54
HPGD P15428 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL6939398 0.89 ALDH1A1 (0.61) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6942791 0.89 ALDH1A1 (0.61) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6939312 0.80 MAPT (0.59) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6939305 0.80 MAPT (0.59) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6941788 0.80 ALDH1A1 (0.63) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6943858 0.80 MAPT (0.58) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6941011 0.80 ALDH1A1 (0.58) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6939693 0.79 ALDH1A1 (0.59) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6943333 0.79 ALDH1A1 (0.59) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL6939699 0.79 ALDH1A1 (0.59) ALDH1A1POLBMAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP claimed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO claimed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed