SCHEMBL4745815

SCHEMBL4745815

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.71
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MITF O75030 2/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 2/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL4745790 0.88 ALOX5 (0.64) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL10904297 0.84 ALOX5 (1.00) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL4748961 0.82 CYP2D6 (0.65) ALOX5POLBNPC1RAB9AALDH1A1
SCHEMBL4749308 0.81 LMNA (0.62) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL4746373 0.80 ALOX5 (0.71) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL11778443 0.79 ALOX5 (0.65) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL30069319 0.78 ALDH1A1 (0.69) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1969093 0.78 ALDH1A1 (0.69) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4749787 0.78 ALOX5 (0.57) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL455174 0.78 ALOX5 (0.72) ALOX5MEN1KMT2APOLBNPC1

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