SCHEMBL21593797

SCHEMBL21593797

O=C(NCCc1nc(-c2ccccc2)cs1)c1cnc2c(c1)=CCCC=2S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39
TP53 P04637 1/20 0.38
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL18539656 0.77 MAPK1 (0.59) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL18539662 0.71 STAMBP (0.58) MAPTMAPK1LMNAPSMD14STAMBP
SCHEMBL18541889 0.70 STAMBP (0.56) MAPTMAPK1LMNAPSMD14STAMBP
SCHEMBL2227256 0.67 MAPT (0.67) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL17261470 0.65 MAPK1 (0.58) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL2230709 0.64 HDAC6 (0.63) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL7826728 0.62 LOXL2 (0.64) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL2291292 0.62 EGLN1 (0.55) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL14752419 0.61 MAPK1 (0.52) MAPTMAPK1LMNAHDAC3HDAC8
SCHEMBL1491309 0.60 MAPT (0.57) MAPTMAPK1LMNAHDAC8HDAC6

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-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed