SCHEMBL5361589

SCHEMBL5361589

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnco1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.61
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 2/20 0.37
NAMPT P43490 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 1/20 0.36
NOTUM Q6P988 1/20 0.35
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6468889 0.77 AR (0.86) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6465872 0.77 AR (0.76) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6464131 0.77 AR (0.80) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6466150 0.77 AR (0.69) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6465272 0.76 AR (1.00) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6469584 0.76 AR (0.61) ARCYP11B2CYP11B1CYP19A1
SCHEMBL14347633 0.76 AR (0.58) ARCYP11B2CYP19A1GRIA2GRIA4
SCHEMBL6464451 0.75 AR (0.80) ARCYP11B2CYP11B1CYP19A1
SCHEMBL5357480 0.75 AR (0.61) ARCYP11B2CYP19A1GRIA2GRIA4
SCHEMBL5362350 0.75 AR (0.57) ARCYP11B2CYP11B1GRIA2GRIA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed