SCHEMBL8296136

SCHEMBL8296136

CCCCCC(C(=O)NO)C(=O)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HDAC8 Q9BY41 6/20 0.53
HDAC3 O15379 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
FAAH O00519 1/20 0.53
TRPV1 Q8NER1 6/20 0.52
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13175364 0.99 LMNA (0.60) LMNAPOLBHDAC8HDAC3HDAC6
SCHEMBL8296679 0.84 HDAC8 (0.47) LMNAHDAC8HDAC3HDAC6HDAC1
SCHEMBL8145665 0.84 HDAC2 (0.62) POLBHDAC8HDAC3HDAC6HDAC1
SCHEMBL8296171 0.83 HDAC2 (0.64) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL21210988 0.82 LMNA (0.64) LMNAPOLBFAAHTRPV1RAB9A
SCHEMBL24688163 0.81 LMNA (0.62) LMNAPOLBFAAHTRPV1RAB9A
SCHEMBL829138 0.78 LMNA (0.58) LMNAPOLBFAAHTRPV1RAB9A
SCHEMBL21755225 0.77 LMNA (0.56) LMNAPOLBHDAC1TRPV1RAB9A
SCHEMBL8296133 0.76 HTT (0.53) LMNAPOLBHDAC8HDAC3HDAC6
SCHEMBL24767438 0.76 HSD17B10 (0.59) LMNAPOLBTRPV1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322160-A1 Methods of inducing terminal differentiation Merck HDAC Research, LLC (US) 2011-05-18 EP disclosed
EP-2266552-A2 Methods of inducing terminal differentiation Merck HDAC Research, LLC (US) 2010-12-29 EP disclosed
EP-2226072-A1 Combinations of suberoylanilide hydroxamic acid and antimetbolic agents for treating cancer Aton Pharma, Inc. (US) 2010-09-08 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-2005023179-A2 COMBINATION METHODS OF TREATING CANCER ATON PHARMA, INC. (US) 2005-03-17 WO disclosed
WO-2003088954-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-10-30 WO disclosed
WO-2003075839-A2 METHODS OF INDUCING TERMINAL DIFFERENTIATION ATON PHARMA, INC. (US) 2003-09-18 WO disclosed