SCHEMBL8145665

SCHEMBL8145665

CCCCCC(C(=O)NO)C(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.62
HDAC8 Q9BY41 10/20 0.62
HDAC3 O15379 8/20 0.62
HDAC6 Q9UBN7 8/20 0.62
HDAC1 Q13547 7/20 0.62
HDAC4 P56524 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53

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
SCHEMBL8296171 0.99 HDAC2 (0.64) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8296679 0.86 HDAC8 (0.47) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8243069 0.85 ALDH1A1 (0.53) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL5524304 0.84 ALDH1A1 (0.67) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL6256778 0.84 ALDH1A1 (0.52) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8296136 0.84 LMNA (0.57) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL13175364 0.83 LMNA (0.60) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL5955806 0.82 MEN1 (0.60) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL11394141 0.82 ALDH1A1 (0.59) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8296132 0.80 MMP8 (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012103165-A2 ANTI-KIT ANTIBODIES AND USES THEREOF KOLLTAN PHARMACEUTICALS, INC. (US) 2012-08-02 WO disclosed
EP-2266552-A2 Methods of inducing terminal differentiation Merck HDAC Research, LLC (US) 2010-12-29 EP disclosed
EP-2201947-A2 Use of SAHA for treating mesothelioma Merck HDAC Research, LLC (US) 2010-06-30 EP disclosed
EP-2082737-A2 Methods of inducing terminal differentiation Merck HDAC Research, LLC (US) 2009-07-29 EP disclosed
WO-2008097654-A1 METHODS OF USING SAHA FOR TREATING HIV INFECTION MERCK & CO., INC. (US) 2008-08-14 WO disclosed
WO-2007056135-A1 METHOD OF TREATING CANCERS WITH SAHA AND PEMETREXED MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056244-A2 METHODS OF USING SAHA AND ERLOTINIB FOR TREATING CANCER MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056162-A2 METHODS OF TREATING CANCERS WITH SAHA, CARBOPLATIN, AND PACLITAXEL AND OTHER COMBINATION THERAPIES MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056243-A2 METHODS OF TREATING CANCERS WITH SAHA AND FLUOROURACIL AND OTHER COMBINATION THERAPIES MERCK & CO. INC. (US) 2007-05-18 WO disclosed
WO-2007056232-A2 METHODS OF USING SAHA AND BORTEZOMIB FOR TREATING CANCER MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007022408-A2 COMBINATION METHODS OF SAHA AND TARGRETIN FOR TREATING CANCER MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2005023179-A2 COMBINATION METHODS OF TREATING CANCER ATON PHARMA, INC. (US) 2005-03-17 WO disclosed
WO-2003075839-A2 METHODS OF INDUCING TERMINAL DIFFERENTIATION ATON PHARMA, INC. (US) 2003-09-18 WO disclosed