SCHEMBL5310380

SCHEMBL5310380

CC(=O)Nc1cc(C)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.45
ALDH3A1 P30838 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL2933889 0.84 HTT (0.56) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL3030037 0.82 LMNA (0.60) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL13987767 0.81 KMT2A (0.53) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL27303263 0.81 HTT (0.59) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL30483195 0.80 ALDH1A1 (0.72) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL3164500 0.80 ALDH1A1 (0.66) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL7600834 0.80 ALDH1A1 (0.72) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL988312 0.79 LMNA (0.50) HTTMAPTTDP1SMN1; SMN2CYP1A2
SCHEMBL11526803 0.76 HTT (0.71) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL27601335 0.75 MAPT (0.79) HTTALDH1A1MAPTTDP1SMN1; SMN2

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-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed