SCHEMBL15440645

SCHEMBL15440645

CCNC(=O)NCc1cccc(CNC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
FBP1 P09467 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KIF11 P52732 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1899410 0.88 NPSR1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15440799 0.84 EPHX2 (0.51) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13039575 0.84 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4861269 0.82 NAMPT (0.53) HDAC1MAPTSMN1; SMN2FBP1ALDH1A1
Lozilurea SCHEMBL1812194 0.82 GAA (0.56) KMT2A
SCHEMBL4341722 0.81 CYP1A2 (0.58) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14174608 0.81 NOS1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1903558 0.81 NPSR1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29675845 0.81 NPSR1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL970225 0.80 SMN1; SMN2 (0.70) PTPN1MAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024795-A1 ALIPHATIC POLYCARBONATE POLYOLS CONTAINING SILYL GROUPS NOVOMER, INC. (US) 2014-01-23 US disclosed