SCHEMBL5645455

SCHEMBL5645455

CN(Cc1ccc(F)cc1)C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.67
KMT2A Q03164 4/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
MEN1 O00255 3/20 0.66
LIMK2 P53671 2/20 0.62
TDP1 Q9NUW8 1/20 0.61
MLYCD O95822 1/20 0.57
MCHR1 Q99705 1/20 0.56
RIPK1 Q13546 1/20 0.53
MAOA P21397 1/20 0.52

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
SCHEMBL5644792 0.93 LIMK2 (0.70) NSD2KMT2AHDAC1HDAC6MEN1
SCHEMBL1003665 0.88 KMT2A (0.83) KMT2AHDAC1HDAC6MEN1LIMK2
SCHEMBL30131237 0.84 NSD2 (0.68) NSD2KMT2AHDAC1HDAC6LIMK2
SCHEMBL5646698 0.84 NSD2 (0.68) NSD2KMT2AHDAC1HDAC6MEN1
SCHEMBL13184565 0.84 MCHR1 (0.68) NSD2KMT2AHDAC1HDAC6LIMK2
SCHEMBL5643137 0.83 HDAC1 (0.66) KMT2AHDAC1HDAC6MEN1LIMK2
SCHEMBL18773928 0.83 KMT2A (0.62) NSD2KMT2AHDAC1HDAC6MEN1
SCHEMBL15676756 0.82 KMT2A (0.65) NSD2KMT2AHDAC1HDAC6MEN1
SCHEMBL5643054 0.81 KMT2A (0.68) NSD2KMT2AHDAC1HDAC6MEN1
SCHEMBL2164868 0.81 NSD2 (0.64) NSD2KMT2AHDAC1HDAC6MEN1

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed