SCHEMBL5047704

SCHEMBL5047704

COc1ccc(SOC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5047710 0.82 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL19033143 0.80 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL6516183 0.80 MAPT (0.61) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL21445759 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5341939 0.79 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15082105 0.79 ALDH1A1 (0.53) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL10332487 0.77 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL29442448 0.77 MAPT (0.54) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL3290865 0.77 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL113361 0.77 MAPT (0.54) MAPTALDH1A1KDM4EMAPK1RAB9A

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-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed