SCHEMBL8670248

SCHEMBL8670248

COc1ccc2c(c1)C(=O)N(CCCCBr)S2(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HDAC9 Q9UKV0 3/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39

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
SCHEMBL8670388 0.90 HDAC1 (0.46) L3MBTL1HDAC1HDAC2HDAC3HDAC7
SCHEMBL8670252 0.86 ADRA1D (0.53) L3MBTL1HDAC1HDAC2ADRA1DADRA1A
SCHEMBL8047949 0.84 CHRM5 (0.38)
SCHEMBL8667641 0.83 ADRA1D (0.39) HDAC1HDAC2HDAC3HDAC7HDAC6
SCHEMBL8667501 0.81 ADRA1D (0.39) HDAC1HDAC2HDAC3ADRA1DADRA1A
SCHEMBL8047953 0.81 ADRA1D (0.40) HDAC1HDAC2HDAC3HDAC7HDAC6
SCHEMBL8670390 0.79 HDAC1 (0.53) HDAC1HDAC2ADRA1DADRA1AADRA1B
SCHEMBL8047931 0.77 CA9 (0.51) HDAC1HDAC2HTR1ADRD2HTR2A
SCHEMBL8671281 0.77 HDAC1 (0.49) HDAC1HDAC2ADRA1DADRA1AADRA1B
SCHEMBL8670894 0.77 ALDH1A1 (0.43) L3MBTL1HDAC1HDAC2HDAC3HDAC7

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-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed