SCHEMBL11087769

SCHEMBL11087769

CC1(C)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=N

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.76
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE4D Q08499 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOTUM Q6P988 2/20 0.41

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
SCHEMBL11086556 0.86 AR (0.78) ARMEN1LMNATP53CYP1A2
SCHEMBL11079218 0.86 AR (1.00) ARMEN1LMNATP53CYP1A2
SCHEMBL8004308 0.86 AR (0.60) ARMEN1LMNATP53CYP1A2
SCHEMBL11481148 0.83 AR (0.51) ARMEN1LMNAALOX12KMT2A
SCHEMBL2221478 0.81 AR (0.78) ARPGR
SCHEMBL11482187 0.81 KMT2A (0.52) ARMEN1LMNACYP1A2CYP2C9
SCHEMBL8407306 0.80 AR (0.78) ARMEN1LMNATP53CYP1A2
SCHEMBL4031754 0.78 AR (0.79) ARMEN1LMNATP53CYP1A2
SCHEMBL11568388 0.77 AR (0.62) ARMEN1LMNATP53CYP1A2
SCHEMBL332642 0.76 AR (0.76) ARMEN1LMNATP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482739-A INTERMEDIATES FOR ANTIANDROGENS AND PARASITICIDES HOFFMANN-LA ROCHE INC. (US) 1984-11-13 US disclosed
US-4407814-A ANTIANDROGENS, 3-(HALO- AND/OR TRIFULOROMETHYL-PHENYL)-4,4-DIMETHYL-HYDANTOINS AND IMINO DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1983-10-04 US disclosed
EP-0001813-B1 IMIDAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES FOR USE IN THIS PROCESS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE USE OF THE ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-11-04 EP disclosed
EP-0001813-A1 Imidazolidine derivatives, process for their preparation, intermediates for use in this process, pharmaceutical compositions containing them and the use of the active compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-16 EP disclosed