SCHEMBL5809254

SCHEMBL5809254

O=C(NO)c1cc2cc(NC(=O)C(Cc3ccccc3)NC(=O)C3CCCC3)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.56
USP30 Q70CQ3 5/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.49
KLKB1 P03952 2/20 0.49
CAPN1 P07384 1/20 0.49
CTSB P07858 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PSMB5 P28074 2/20 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
SCHEMBL8258865 1.00 HDAC1 (0.56) HDAC1USP30MEN1KMT2ALMNA
SCHEMBL8258871 0.96 HDAC1 (0.58) HDAC1USP30MEN1KMT2ALMNA
SCHEMBL3655932 0.89 HDAC1 (0.52) HDAC1USP30MEN1KMT2ALMNA
SCHEMBL8257241 0.89 HDAC1 (0.52) HDAC1USP30MEN1KMT2ALMNA
SCHEMBL5805403 0.89 KMT2A (0.57) HDAC1USP30MEN1KMT2ALMNA
SCHEMBL8260313 0.88 HDAC1 (0.56) HDAC1
SCHEMBL5806240 0.87 HDAC1 (0.53) HDAC1
SCHEMBL8258575 0.87 HDAC1 (0.53) HDAC1
SCHEMBL5808207 0.86 HDAC1 (0.55) HDAC1USP30
SCHEMBL8258867 0.86 HDAC1 (0.55) HDAC1USP30

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