SCHEMBL3397918

SCHEMBL3397918

O=Cc1cccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA2 P00918 1/20 0.51
CREBBP Q92793 2/20 0.47
RECQL P46063 1/20 0.45
ATR Q13535 2/20 0.41
ATRIP Q8WXE1 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38

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
SCHEMBL5716839 0.90 CA12 (0.55) CA12CA9CA2CREBBPRECQL
SCHEMBL3402325 0.82 CA12 (0.56) CA12CA9CA2CREBBPRECQL
SCHEMBL3403806 0.80 CA12 (0.50) CA12CA9CA2CREBBPRECQL
SCHEMBL7061811 0.77 HTR6 (0.48) CA12CA9CA2CREBBPRECQL
SCHEMBL1177272 0.77 CA12 (0.58) CA12CA9CA2CREBBPRECQL
SCHEMBL3433282 0.75 CA12 (0.60) CA12CA9CA2CREBBPRECQL
SCHEMBL3558164 0.74 CA12 (0.78) CA12CA9CA2CREBBPRECQL
SCHEMBL7066129 0.74 BCL2 (0.48) CA12CA9CA2CREBBPRECQL
SCHEMBL30276218 0.73 CA12 (0.52) CA12CA9CA2CREBBPRECQL
SCHEMBL369194 0.73 CA12 (0.52) CA12CA9CA2CREBBPRECQL

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
EP-2222659-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF The Ohio State University Research Foundation (US) 2010-09-01 EP disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO disclosed