SCHEMBL5805403

SCHEMBL5805403

O=C(O)c1cc2cc(NC(=O)C(Cc3ccccc3)NC(=O)C3CC3)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 2/20 0.55
KLKB1 P03952 2/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
CAPN1 P07384 2/20 0.51
CTSB P07858 1/20 0.51
USP30 Q70CQ3 5/20 0.51
F11 P03951 1/20 0.47
HDAC1 Q13547 1/20 0.47
S1PR1 P21453 1/20 0.46
PSMB5 P28074 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8258871 0.92 HDAC1 (0.58) KMT2AMEN1LMNAKLKB1PRSS1
SCHEMBL5809254 0.89 HDAC1 (0.56) KMT2AMEN1LMNAKLKB1PRSS1
SCHEMBL8258865 0.89 HDAC1 (0.56) KMT2AMEN1LMNAKLKB1PRSS1
SCHEMBL8257241 0.83 HDAC1 (0.52) KMT2AMEN1LMNAKLKB1PRSS1
SCHEMBL3655932 0.83 HDAC1 (0.52) KMT2AMEN1LMNAKLKB1PRSS1
SCHEMBL5809054 0.80 TACR2 (0.50) HDAC1
SCHEMBL8259001 0.78 HDAC1 (0.67) HDAC1
SCHEMBL5809231 0.78 HDAC1 (0.67) HDAC1
SCHEMBL8260313 0.78 HDAC1 (0.56) HDAC1
SCHEMBL8257234 0.77 HDAC1 (0.54) USP30HDAC1

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-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed