SCHEMBL3666964

SCHEMBL3666964

Brc1cccc(N2CCCC(N3CCCCCC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
L3MBTL3 Q96JM7 11/20 0.48
MBTD1 Q05BQ5 7/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
TP53 P04637 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.45
TP53BP1 Q12888 1/20 0.43
POLB P06746 1/20 0.41
HTR6 P50406 2/20 0.40
ADCY5 O95622 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL27800840 1.00 HDAC4 (0.48) HDAC4L3MBTL3MBTD1L3MBTL1TP53
SCHEMBL27800639 1.00 HDAC4 (0.48) HDAC4L3MBTL3MBTD1L3MBTL1TP53
SCHEMBL27821597 0.96 HDAC4 (0.49) HDAC4L3MBTL3MBTD1L3MBTL1TP53
SCHEMBL28785960 0.96 HDAC4 (0.49) HDAC4L3MBTL3MBTD1L3MBTL1TP53
SCHEMBL27821598 0.96 HDAC4 (0.49) HDAC4L3MBTL3MBTD1L3MBTL1TP53
SCHEMBL3670183 0.80 L3MBTL1 (0.53) HDAC4L3MBTL3MBTD1L3MBTL1L3MBTL4
SCHEMBL2174158 0.79 ALDH1A1 (0.50) L3MBTL1
SCHEMBL265128 0.79 ALDH1A1 (0.50) L3MBTL1
SCHEMBL31334193 0.78 SMARCA2 (0.40) L3MBTL1
SCHEMBL31334501 0.78 SMARCA2 (0.40) L3MBTL1

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
CN-101951904-A Benzothiazole and benzoxazole derivatives and methods of use ABBOTT LAB 2011-01-19 CN claimed
CN-101951904-A Benzothiazole and benzoxazole derivatives and methods of use ABBOTT LAB 2011-01-19 CN disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed