SCHEMBL7994263

SCHEMBL7994263

OCCOc1cccc(Cn2cnc3ccccc32)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
CYP11B1 P15538 6/20 0.51
CYP11B2 P19099 6/20 0.51
SMN1; SMN2 Q16637 8/20 0.49
HTT P42858 5/20 0.49
TNF P01375 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.48
STAT3 P40763 1/20 0.48
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7983661 0.82 CYP11B1 (0.48) LMNARAB9AGAACYP11B1CYP11B2
SCHEMBL7984325 0.80 RAB9A (0.48) LMNARAB9AGAACYP11B1CYP11B2
SCHEMBL22345608 0.79 CYP11B1 (0.61) LMNARAB9AGAACYP11B1CYP11B2
SCHEMBL8670922 0.76 SMN1; SMN2 (0.64) LMNARAB9AGAACYP11B1CYP11B2
SCHEMBL4142913 0.75 CYP11B1 (0.77) LMNACYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL30826274 0.75 CYP11B1 (0.77) LMNACYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL7215799 0.74 CYP11B1 (0.67) LMNARAB9AGAACYP11B1CYP11B2
Bromide SCHEMBL31253900 0.73 CYP11B1 (0.75) LMNACYP11B1CYP11B2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL31253891 0.73 CYP11B1 (0.75) LMNACYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL7995805 0.72 SMN1; SMN2 (0.56) LMNARAB9AGAACYP11B1CYP11B2

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 disclosed