SCHEMBL8070001

SCHEMBL8070001

Bc1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.75
CYP11B2 P19099 8/20 0.75
TNF P01375 2/20 0.75
HTT P42858 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MAPK1 P28482 2/20 0.73
LMNA P02545 4/20 0.71
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13907295 0.91 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL230002 0.86 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31357411 0.86 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL8325011 0.85 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL14042406 0.85 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL9049676 0.83 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL12203767 0.83 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3176209 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3966422 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL2022520 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; 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-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed