SCHEMBL2364022

SCHEMBL2364022

NC(CCCC(=O)O)NC(=O)c1cscn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAP3K5 Q99683 1/20 0.37
GRM5 P41594 1/20 0.34
ENPEP Q07075 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MCHR1 Q99705 1/20 0.33
PIM1 P11309 1/20 0.33
GRM4 Q14833 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2238698 0.83 KDM4E (0.46) KDM4EHDAC3HDAC1HDAC6HDAC4
SCHEMBL2364113 0.78 LONP1 (0.46) KDM4ELMNA
SCHEMBL2335604 0.77 GABRA5 (0.40) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL2364467 0.75 P2RX7 (0.54) KDM4EGRM5GRM4LMNAFPR2
SCHEMBL2073271 0.73 HDAC3 (0.60) KDM4EHDAC3HDAC1HDAC6HDAC4
SCHEMBL2364158 0.73 HSPA9 (0.42) HDAC3HDAC1GRM5
SCHEMBL2364024 0.70 CYP1A2 (0.55) KDM4EPIM1
SCHEMBL4542700 0.70
SCHEMBL2234116 0.70 HDAC3 (0.48) KDM4EHDAC3HDAC1HDAC6MAP3K5
SCHEMBL31307605 0.70 KDM4E (0.47) KDM4EHDAC3HDAC1HDAC6HDAC4

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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed