SCHEMBL14934290

SCHEMBL14934290

CC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCCC3)cc1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.75
ABCG2 Q9UNQ0 1/20 0.66
GABRP O00591 2/20 0.64
GABRD O14764 2/20 0.64
GABRA1 P14867 2/20 0.64
GABRB1 P18505 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRA3 P34903 2/20 0.64
GABRA2 P47869 2/20 0.64
GABRB2 P47870 2/20 0.64
GABRA4 P48169 2/20 0.64
GABRE P78334 2/20 0.64
GABRA6 Q16445 2/20 0.64
GABRG1 Q8N1C3 2/20 0.64
GABRG3 Q99928 2/20 0.64
GABRQ Q9UN88 2/20 0.64
NR3C1 P04150 2/20 0.64
NR1I2 O75469 1/20 0.64

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
SCHEMBL29861461 0.91 AR (0.87) ARGABRPGABRDGABRA1GABRB1
SCHEMBL547539 0.91 AR (0.87) ARGABRPGABRDGABRA1GABRB1
SCHEMBL21788420 0.90 AR (0.73) ARABCG2GABRPGABRDGABRA1
SCHEMBL17107302 0.90 AR (0.85) ARGABRPGABRDGABRA1GABRB1
SCHEMBL15661295 0.90 AR (0.85) ARGABRPGABRDGABRA1GABRB1
SCHEMBL21788615 0.90 AR (0.81) ARABCG2GABRPGABRDGABRA1
SCHEMBL1715991 0.89 AR (0.73) ARABCG2GABRPGABRDGABRA1
SCHEMBL30184881 0.89 AR (0.73) ARABCG2GABRPGABRDGABRA1
SCHEMBL29378261 0.89 AR (0.87) ARGABRPGABRDGABRA1GABRB1
SCHEMBL547156 0.89 AR (0.87) ARGABRPGABRDGABRA1GABRB1

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-2013066440-A9 TREATMENT OF BREAST CANCER MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2013-07-18 WO disclosed
WO-2013066440-A1 TREATMENT OF BREAST CANCER MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2013-05-10 WO disclosed