SCHEMBL7821606

SCHEMBL7821606

O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KMT2A Q03164 10/20 0.64
MEN1 O00255 8/20 0.64
PKM P14618 1/20 0.64
MAPT P10636 5/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
CYP1A2 P05177 1/20 0.56
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL6816902 0.90 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL13219558 0.84 ALDH1A1 (0.81) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL7783257 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL7718025 0.81 CYP1A2 (0.68) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL7718019 0.81 KMT2A (0.69) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL7716932 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL10752115 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL7716920 0.81 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL2031092 0.80 KCNK2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL2024935 0.79 MEN1 (0.71) ALDH1A1KMT2AMEN1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed