SCHEMBL5403029

SCHEMBL5403029

O=C(Nc1ccccc1)C(F)(F)F.O=S(=O)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
PDK1 Q15118 2/20 0.56
PDK2 Q15119 2/20 0.56
PDK3 Q15120 2/20 0.56
PDK4 Q16654 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL474941 0.92 HDAC1 (0.65) CA12CA1CA2CA9HDAC3
SCHEMBL28023108 0.91 CA12 (0.57) CA12CA1CA2CA9HDAC3
Trifluoroacetic Acid SCHEMBL5917247 0.88 HDAC1 (0.61) CA12CA1CA2CA9HDAC3
SCHEMBL12813838 0.83 PDK1 (0.54) CA12CA1CA2CA9HDAC3
SCHEMBL8755361 0.81 RAB9A (0.71) CA12CA1CA2CA9HDAC3
Diphenylurea SCHEMBL11884167 0.79 SMN1; SMN2 (0.77) CA12CA1CA2CA9KMT2A
SCHEMBL12965356 0.79 PDK1 (0.59) CA12CA1CA2CA9HDAC3
SCHEMBL20981664 0.78 L3MBTL1 (0.82) CA12CA1CA2CA9HDAC3
SCHEMBL3765919 0.78 CA12 (0.59) CA12CA1CA2CA9HDAC3
SCHEMBL9677254 0.78 PDK1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238489-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-03 US disclosed
US-7101692-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-05 US disclosed
US-20060073530-A1 Methods and compositions involving sortase B NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-06 US disclosed
EP-1416955-A4 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2005-06-15 EP disclosed
US-20050069984-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-31 US disclosed
EP-1233780-A4 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2004-09-22 EP disclosed
US-6773706-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-08-10 US disclosed
EP-1416955-A2 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2004-05-12 EP disclosed
WO-2003020885-A9 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2004-04-01 WO disclosed
US-20030153020-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-14 US disclosed
WO-2003020885-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-03-13 WO disclosed
US-20030022178-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-30 US disclosed
EP-1233780-A1 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2002-08-28 EP disclosed
WO-2000062804-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-10-26 WO disclosed
WO-1999009145-A1 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-25 WO disclosed