SCHEMBL3655932

SCHEMBL3655932

O=C(NO)c1cc2cc(NC(=O)C(Cc3ccccc3)NC(=O)C3CCOC3)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
CAPN1 P07384 1/20 0.44
CTSB P07858 1/20 0.44
KLKB1 P03952 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TACR2 P21452 2/20 0.43
USP30 Q70CQ3 2/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL8257241 1.00 HDAC1 (0.52) HDAC1MEN1KMT2ALMNAITGB1
SCHEMBL8258871 0.90 HDAC1 (0.58) HDAC1MEN1KMT2ALMNACAPN1
SCHEMBL8258865 0.89 HDAC1 (0.56) HDAC1MEN1KMT2ALMNACAPN1
SCHEMBL5809254 0.89 HDAC1 (0.56) HDAC1MEN1KMT2ALMNACAPN1
SCHEMBL5805403 0.83 KMT2A (0.57) HDAC1MEN1KMT2ALMNACAPN1
SCHEMBL5809231 0.81 HDAC1 (0.67) HDAC1
SCHEMBL8259001 0.81 HDAC1 (0.67) HDAC1
SCHEMBL8260313 0.80 HDAC1 (0.56) HDAC1
SCHEMBL5818156 0.80 HDAC1 (0.61) HDAC1
SCHEMBL8258575 0.80 HDAC1 (0.53) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed