SCHEMBL8667641

SCHEMBL8667641

Cc1ccc2c(c1)C(=O)N(CCCCBr)S2(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CA12 O43570 5/20 0.35
CA9 Q16790 5/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL8667643 0.85 CA9 (0.51) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8667501 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8047953 0.84 ADRA1D (0.40) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8670248 0.83 L3MBTL1 (0.44) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8047912 0.81 L3MBTL1 (0.38) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8047931 0.80 CA9 (0.51) HDAC1HDAC2CA12CA9NPC1
SCHEMBL8671281 0.80 HDAC1 (0.49) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL8047949 0.78 CHRM5 (0.38)
SCHEMBL8667683 0.76 HDAC1 (0.38) ADRA1DADRA1AADRA1BHDAC1HDAC2
SCHEMBL9659666 0.76 CA12 (0.50) HDAC1HDAC2CA12CA9NPC1

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
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US disclosed