SCHEMBL7998616

SCHEMBL7998616

Cc1c(Cn2cnc3ccccc32)cccc1OCCCSc1ccc2ncc([N+](=O)[O-])n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.39
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 6/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
STAT3 P40763 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
BRD4 O60885 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TNF P01375 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL7984159 0.84 EGFR (0.31)
SCHEMBL7996545 0.82 CYP2D6 (0.36)
SCHEMBL7994645 0.82 HSP90AA1 (0.34) RAB9AHTTMAPT
SCHEMBL7995749 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL7994228 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL7995824 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL8081077 0.74 CYP1A2 (0.33) ALDH1A1LMNAMAPK1
SCHEMBL8001816 0.72 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL7994222 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1HTT
SCHEMBL8001628 0.68 GRM2 (0.41) ALDH1A1RAB9ANPC1PKMKDM4E

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed