SCHEMBL7588263

SCHEMBL7588263

N=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 5/20 0.40
MAOA P21397 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
F12 P00748 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PPARG P37231 1/20 0.38

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
SCHEMBL7584637 0.88 F12 (0.48) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6086523 0.85 HTR3E (0.42) KMT2ANPC1ALDH1A1RAB9AATM
SCHEMBL7591071 0.78 MAOB (0.47) NPC1RAB9AMAOBCA2
SCHEMBL7588083 0.76 BCAT1 (0.45) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7586299 0.76 GPR35 (0.42) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL5866846 0.73 MEN1 (0.52) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL5866847 0.73 MEN1 (0.52) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL7586241 0.72 HTR3E (0.40) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL5866850 0.71 LMNA (0.62) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL3609153 0.70 POLB (0.59) POLBMEN1KMT2ANPC1ALDH1A1

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-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed