SCHEMBL4749787

SCHEMBL4749787

O=C(CCCN1CCCC1)Nc1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
TERT O14746 2/20 0.46
MAPT P10636 1/20 0.45
CACNA1G O43497 1/20 0.45

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
SCHEMBL4749308 0.95 LMNA (0.62) ALOX5KMT2ALMNAALDH1A1POLB
SCHEMBL4748961 0.88 CYP2D6 (0.65) ALOX5LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL14041580 0.85 POLB (0.63) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL4750027 0.84 KMT2A (0.65) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL4748608 0.83 LMNA (0.60) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL14041496 0.83 KMT2A (0.60) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL4745790 0.83 ALOX5 (0.64) ALOX5KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4746006 0.83 CYP2D6 (0.71) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4749180 0.80 LMNA (0.71) KMT2ALMNAALDH1A1POLBMEN1
SCHEMBL8227510 0.79 ALDH1A1 (0.83) KMT2ALMNAALDH1A1POLBMEN1

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed