SCHEMBL4428958

SCHEMBL4428958

NC(=O)c1ccc(OCCNC(=O)c2cc3cc(Cl)ccc3o2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
ATF4 P18848 5/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ADAMTS4 O75173 3/20 0.43

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
SCHEMBL4438509 0.89 HPGD (0.53) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL4033454 0.85 HPGD (0.49) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL14785106 0.82 HPGD (0.46) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL4430412 0.81 HPGD (0.45) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL446351 0.81 HDAC3 (0.58) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL4255648 0.78 HDAC3 (0.55) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL4432409 0.78 KMT2A (0.55) SMN1; SMN2HPGDTSHRHDAC1HDAC2
SCHEMBL4438351 0.77 HPGD (0.48) SMN1; SMN2HPGDTSHRHSD17B10MEN1
SCHEMBL445062 0.75 HDAC1 (0.64) SMN1; SMN2HPGDTSHRHDAC3HDAC1
SCHEMBL14918163 0.72 HDAC4 (0.54) SMN1; SMN2HPGDTSHRHDAC3HDAC1

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-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed