SCHEMBL4745790

SCHEMBL4745790

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.64
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.49
MITF O75030 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL4745815 0.88 ALOX5 (0.71) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL4749787 0.83 ALOX5 (0.57) ALOX5MEN1KMT2AL3MBTL1NPC1
SCHEMBL4749308 0.81 LMNA (0.62) ALOX5MEN1KMT2AALDH1A1POLB
SCHEMBL4749309 0.80 L3MBTL1 (0.76) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5216830 0.80 MAPT (0.49) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL10904297 0.80 ALOX5 (1.00) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL4748961 0.78 CYP2D6 (0.65) ALOX5NPC1RAB9AALDH1A1POLB
SCHEMBL4746770 0.77 MEN1 (0.63) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL6404247 0.77 HDAC4 (0.66) L3MBTL1CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL5218310 0.77 MAPT (0.48) MEN1KMT2AL3MBTL1ALDH1A1POLB

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