SCHEMBL7823219

SCHEMBL7823219

CCCCCCCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.49
NAAA Q02083 3/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 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
SCHEMBL11937519 0.95 NPC1 (0.54) MGLLNPC1RAB9AMAPTTP53
SCHEMBL6942718 0.87 MGLL (0.56) MGLLNPC1RAB9AMAPTNAAA
SCHEMBL7646600 0.84 MGLL (0.53) MGLLNPC1RAB9AMAPTNAAA
SCHEMBL27358389 0.82 MGLL (0.54) MGLLNPC1MAPTNAAAKMT2A
SCHEMBL26757997 0.82 MGLL (0.54) MGLLNPC1RAB9AMAPTHTT
SCHEMBL7371656 0.81 KMT2A (0.70) NPC1MAPTKMT2AALDH1A1LMNA
SCHEMBL11318826 0.81 KMT2A (0.70) NPC1MAPTKMT2AALDH1A1LMNA
SCHEMBL8384101 0.81 MGLL (0.53) MGLLNPC1RAB9AMAPTHTT
SCHEMBL28860063 0.81 SMN1; SMN2 (0.60) MGLLNPC1RAB9AMAPTHTT
SCHEMBL27452022 0.81 SMN1; SMN2 (0.57) MGLLNPC1RAB9AMAPTHTT

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