SCHEMBL396993

SCHEMBL396993

C=C(Cc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TCF4 P15884 1/20 0.54
CTNNB1 P35222 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
GAA P10253 2/20 0.52
LIMK2 P53671 2/20 0.51
LIMK1 P53667 1/20 0.51
HTR6 P50406 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FFAR1 O14842 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CCNH P51946 1/20 0.50

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
SCHEMBL396887 0.90 HTR6 (0.62) ALDH1A1GAAHTR6MEN1KMT2A
SCHEMBL396990 0.85 HTR6 (0.59) ALDH1A1HTR6MEN1KMT2AHDAC3
SCHEMBL397357 0.85 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL398666 0.82 ALDH1A1 (0.50) ALDH1A1
SCHEMBL398544 0.81 ADRA2A (0.47) ALDH1A1HTR6AR
SCHEMBL396740 0.80 HDAC1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL8269562 0.79 TP53 (0.64) ALDH1A1TCF4CTNNB1CA12CA1
SCHEMBL393833 0.79 AKR1C3 (0.61) ALDH1A1GAAHTR6MEN1KMT2A
SCHEMBL3562390 0.78 POLB (0.62) ALDH1A1TCF4CTNNB1CA12CA1
SCHEMBL27653427 0.78 HTR6 (0.76) ALDH1A1TCF4CTNNB1CA12CA1

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
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed