SCHEMBL27879774

SCHEMBL27879774

C=CC(c1ccc(C)cc1)S(=O)(=O)n1ccc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.36
▸ FABP4 P15090 4/20 0.34
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ RAPGEF4 Q8WZA2 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31

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
SCHEMBL27799540 0.86 FABP4 (0.38) HTR6FABP4HTTMEN1KMT2A
SCHEMBL28750987 0.83 HTT (0.46) HTR6FABP4HTTMEN1KMT2A
SCHEMBL28946823 0.79 HTR6 (0.53) HTR6
SCHEMBL27678077 0.79 FABP4 (0.38) HTR6FABP4HTTRAPGEF4MAPT
SCHEMBL28799515 0.78 HTR6 (0.35) HTR6SLC1A3SLC1A2SLC1A1
SCHEMBL29408218 0.74 MEN1 (0.60) HTR6FABP4HTTMEN1KMT2A
SCHEMBL2573218 0.74 MEN1 (0.60) HTR6FABP4HTTMEN1KMT2A
SCHEMBL27634824 0.73 PPARG (0.43) FABP4RAPGEF4TDP1HDAC3HDAC4
SCHEMBL27677914 0.73 HTR6 (0.42) HTR6HTTMEN1KMT2APKM
SCHEMBL27863452 0.71 NOTUM (0.37) HTR6FABP4KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933557-A Radioprotector compounds and methods PETER MACCALLUM CANCER INST 2013-02-13 — — CN disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 — — CN disclosed
CN-102574836-A Aminopyrazole Derivatives CHUGAI PHARMACEUTICAL CO LTD 2012-07-11 — — CN disclosed
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