SCHEMBL8508395

SCHEMBL8508395

Cc1cc(Cn2cnc3ccccc32)c(C)c(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.68
CYP11B2 P19099 8/20 0.68
TNF P01375 2/20 0.66
MAPK1 P28482 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 5/20 0.59
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 2/20 0.54
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
BRD4 O60885 1/20 0.47
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL28975960 0.80 MAPK1 (0.69) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL30310275 0.80 MAPK1 (0.69) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL15560485 0.79 TNF (0.79) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL4142913 0.79 CYP11B1 (0.77) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL30826274 0.79 CYP11B1 (0.77) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL15376499 0.79 MAPK1 (0.78) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL15382978 0.78 MAPK1 (0.68) CYP11B1CYP11B2TNFMAPK1MEN1
Hydrochloric Acid SCHEMBL31253891 0.77 CYP11B1 (0.75) CYP11B1CYP11B2TNFMAPK1MEN1
Bromide SCHEMBL31253900 0.77 CYP11B1 (0.75) CYP11B1CYP11B2TNFMAPK1MEN1
SCHEMBL22684753 0.77 CYP11B1 (0.67) CYP11B1CYP11B2TNFMAPK1MEN1

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-5968708-A METAL PHTHALOCYANINE WITH MANGANESE, IRON, COBALT, ZINC OR CADMIUM METAL WITH ETHER OR SULFIDE SUBSTITUENTS RICOH COMPANY, LTD. (JP) 1999-10-19 US disclosed