SCHEMBL4748581

SCHEMBL4748581

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.81
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.60
MITF O75030 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 1/20 0.60
BLM P54132 1/20 0.54
FFAR1 O14842 1/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL10904297 0.90 ALOX5 (1.00) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL17993344 0.83 HDAC2 (0.61) ALOX5MEN1KMT2APOLBLMNA
SCHEMBL14407440 0.83 PTPN1 (0.58) ALOX5MEN1KMT2APOLBLMNA
SCHEMBL4746209 0.81 MEN1 (0.60) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL299879 0.81 KMT2A (0.88) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL30868371 0.81 KMT2A (0.88) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL29951893 0.81 ALOX5 (0.76) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL1120804 0.79 MAPK1 (0.55) ALOX5POLBNPC1RAB9AMAPT
SCHEMBL3160310 0.79 MEN1 (0.87) ALOX5MEN1KMT2APOLBNPC1
SCHEMBL11729838 0.78 ALOX5 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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