SCHEMBL8337178

SCHEMBL8337178

Cc1cc(-n2ccnc2)ccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
CYP19A1 P11511 2/20 0.53
ADH5 P11766 3/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.46
ENPP2 Q13822 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NOTUM Q6P988 1/20 0.46
IDO1 P14902 1/20 0.45
CYP3A4 P08684 2/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MEN1 O00255 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
SCHEMBL25442242 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL12990375 0.83 NOTUM (0.53) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL22214035 0.83 ENPP2 (0.53) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL12117429 0.81 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL25442434 0.79 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL8338440 0.77 NOTUM (0.58) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL28366763 0.77 ENPP2 (0.58) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL993223 0.77 LMNA (0.58) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL18101813 0.74 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1ADH5LMNA
SCHEMBL801703 0.74 NOTUM (0.63) CYP11B1CYP11B2CYP19A1ADH5LMNA

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-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed