SCHEMBL630636

SCHEMBL630636

CC1(C)C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=O)N1CCCCCCCCCCCS(=O)(=O)NCCCC(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.46
PGR P06401 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3806561 1.00 AR (0.46) ARPGRMEN1LMNATP53
SCHEMBL629351 0.90 AR (0.49) ARPGRMEN1LMNATP53
SCHEMBL630341 0.88 AR (0.48) ARPGRMEN1LMNATP53
SCHEMBL630907 0.85 AR (0.46) ARPGR
SCHEMBL633848 0.84 AR (0.62) ARPGRMEN1LMNATP53
SCHEMBL634148 0.84 AR (0.62) ARPGRMEN1LMNATP53
SCHEMBL633318 0.84 AR (0.62) ARPGRMEN1LMNATP53
SCHEMBL629766 0.84 AR (0.50) ARPGRMEN1LMNATP53
SCHEMBL630118 0.84 AR (0.50) ARPGRMEN1LMNATP53
SCHEMBL630258 0.84 AR (0.50) ARPGRMEN1LMNATP53

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
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO disclosed