SCHEMBL17954288

SCHEMBL17954288

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cc(F)c(OCCCCCOCCCO)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.61
HDAC6 Q9UBN7 5/20 0.61
HDAC3 O15379 4/20 0.61
HDAC1 Q13547 4/20 0.61
HDAC2 Q92769 4/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
NR1I2 O75469 1/20 0.59
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
KLK3 P07288 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
CNR1 P21554 1/20 0.59
TBXA2R P21731 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59

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
SCHEMBL17954406 0.87 AR (0.66) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL18815307 0.87 ABCG2 (0.67) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL17954369 0.86 AR (0.68) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL22642216 0.85 AR (0.70) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL26115570 0.84 AR (0.69) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL27372922 0.83 AR (0.80) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL17519961 0.83 AR (0.72) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL15506471 0.83 ABCG2 (0.68) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL31476803 0.83 AR (0.67) ARHDAC6HDAC3HDAC1HDAC2
SCHEMBL17947407 0.82 ABCG2 (0.62) ARHDAC6HDAC3HDAC1HDAC2

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-2016118666-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF THE ANDROGEN RECEPTOR Arvinas, Inc. (US) 2016-07-28 WO disclosed