SCHEMBL7994643

SCHEMBL7994643

Cc1c(Cn2cnc3ccccc32)cccc1SCCCl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.56
CYP11B2 P19099 8/20 0.56
HTT P42858 5/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TNF P01375 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 1/20 0.40

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
SCHEMBL7996137 0.86 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7997671 0.84 CYP11B1 (0.52) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7996157 0.84 CYP11B1 (0.52) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7996230 0.82 CYP11B1 (0.50) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7983622 0.82 CYP11B1 (0.49) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7996260 0.81 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7998199 0.81 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7997708 0.78 CYP11B1 (0.46) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7997859 0.78 CYP11B1 (0.45) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL7997632 0.77 SMN1; SMN2 (0.44) CYP11B1CYP11B2HTTLMNASMN1; 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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed