SCHEMBL13225618

SCHEMBL13225618

N=S(=O)(NC1CCN(c2ccc(C(=O)NO)cc2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.48
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC8 Q9BY41 5/20 0.48
▸ HDAC3 O15379 4/20 0.48
▸ HDAC4 P56524 4/20 0.48
▸ HDAC7 Q8WUI4 4/20 0.48
▸ HDAC2 Q92769 4/20 0.48
▸ HDAC10 Q969S8 4/20 0.48
▸ HDAC11 Q96DB2 4/20 0.48
▸ HDAC9 Q9UKV0 4/20 0.48
▸ HDAC5 Q9UQL6 4/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TPSAB1 Q15661 3/20 0.47
▸ SFRP1 Q8N474 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL8350065 0.90 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10194631 0.86 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10144870 0.79 DRD4 (0.60) KMT2AMAPTSMN1; SMN2MEN1NPC1
SCHEMBL10194565 0.79 SFRP1 (0.60) TPSAB1SFRP1KMT2AMAPTSMN1; SMN2
SCHEMBL1662900 0.78 HDAC1 (0.71) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10194628 0.77 MCHR1 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10194626 0.75 HDAC8 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10194627 0.75 HDAC8 (0.59) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1618414 0.75 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL10194451 0.75 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 — — US disclosed
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 — — US disclosed
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