SCHEMBL8445659

SCHEMBL8445659

N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
HCAR3 P49019 1/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.50
PHGDH O43175 1/20 0.50
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.48
F2 P00734 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL13210703 0.80 RAB9A (0.65) LMNANPC1RAB9AKMT2AALDH1A1
SCHEMBL23200368 0.80 KCNMA1 (0.58) LMNAKMT2AALDH1A1GAAHTT
SCHEMBL8306313 0.79 AKR1C2 (0.65) LMNAKMT2AHCAR3MAPTALDH1A1
SCHEMBL8305753 0.78 SMN1; SMN2 (0.74) LMNANPC1RAB9AKMT2AHCAR3
SCHEMBL8307686 0.78 ALOX5 (0.68) LMNANPC1RAB9AKMT2AHCAR3
SCHEMBL300146 0.78 ALDH1A1 (0.62) LMNANPC1RAB9AKMT2AHCAR3
SCHEMBL8308004 0.77 MEN1 (0.69) KMT2AMAPTALDH1A1GAAPDE5A
SCHEMBL7010635 0.77 KCNMA1 (0.57) LMNANPC1RAB9AKMT2AMAPT
SCHEMBL95300 0.76 RAB9A (0.58) LMNANPC1RAB9AKMT2AMAPT
SCHEMBL8303947 0.76 ALDH1A1 (0.71) LMNANPC1RAB9AKMT2AHCAR3

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-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed