SCHEMBL7584783

SCHEMBL7584783

O=C(O)C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
CA1 P00915 1/20 0.56
MMP2 P08253 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 5/20 0.53
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
ATR Q13535 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
MCL1 Q07820 1/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7578041 0.84 ALDH1A1 (0.60) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7576014 0.84 SMN1; SMN2 (0.60) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28839565 0.83 LMNA (0.55) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7582055 0.82 RAB9A (0.51) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7576130 0.79 NPC1 (0.56) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7574185 0.77 HPGD (0.57) LMNAMEN1KMT2AMAPTCA1
SCHEMBL5244119 0.77 MEN1 (0.68) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7582132 0.77 ALDH1A1 (0.57) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7585239 0.76 KMT2A (0.57) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7584383 0.76 ALOX5 (0.50) MEN1KMT2AMAPTSMN1; SMN2HTT

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed