SCHEMBL7674904

SCHEMBL7674904

CCC(=O)N(c1c[nH]c2ccccc12)C(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MET P08581 1/20 0.43
SMO Q99835 1/20 0.43
GAA P10253 4/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL7563356 0.86 KMT2A (0.51) MAPTGAAMGAMSIMGAM2
SCHEMBL7671956 0.82 ALDH1A1 (0.44) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7676892 0.78 ALDH1A1 (0.43) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL7677327 0.77 MAPT (0.45) MAPTSMN1; SMN2METSMOGAA
SCHEMBL7674975 0.76 NPC1 (0.44) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7677154 0.75 ALDH1A1 (0.44) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL4250091 0.72 ELANE (0.41) MAPTSMN1; SMN2METSMOGAA
SCHEMBL7677241 0.72 NOD2 (0.47) MAPTSMN1; SMN2GAAMGAMSI
SCHEMBL27946627 0.71 SRC (0.53) MAPTSMN1; SMN2GAAMGAMSI
SCHEMBL7650108 0.70 MEN1 (0.49) MAPTSMN1; SMN2METSMOGAA

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
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed