SCHEMBL5355359

SCHEMBL5355359

Cc1cc(-c2ccc(C#N)c(Cl)c2)c(C)n1Cc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.37
AR P10275 10/20 0.35
SLC22A12 Q96S37 1/20 0.33
NSD2 O96028 1/20 0.32
CYP11B1 P15538 4/20 0.32
F11 P03951 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5357164 0.85 CYP11B2 (0.39) CYP11B2ARLMNA
SCHEMBL5357454 0.83 AR (0.36) CYP11B2ARNSD2CYP11B1LMNA
SCHEMBL3076208 0.80 AR (0.45) CYP11B2ARNSD2
SCHEMBL13335441 0.76 AR (0.33) ARLMNAHPGD
SCHEMBL5353540 0.76 CYP11B2 (0.38) CYP11B2ARNSD2
SCHEMBL5357234 0.74 CYP11B2 (0.37) CYP11B2ARNSD2
SCHEMBL5366156 0.74 AR (0.37) CYP11B2ARNSD2CYP11B1
SCHEMBL5367787 0.72 CYP11B2 (0.35) CYP11B2
SCHEMBL5362074 0.72 CYP11B2 (0.35) CYP11B2ARCYP11B1
SCHEMBL5358762 0.69 CYP11B2 (0.40) CYP11B2ARLMNA

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