SCHEMBL5577017

SCHEMBL5577017

O=C(O)c1ccc(/N=N/c2ccc(OCCCCCCS)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 6/20 0.57
RARB P10826 3/20 0.55
HTT P42858 3/20 0.55
PKM P14618 1/20 0.53
PLA2G4A P47712 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51

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
SCHEMBL4410600 1.00 TP53 (0.59) TP53TSHRPLA2G4BRARBHTT
SCHEMBL29797154 0.91 TP53 (0.70) TP53TSHRPLA2G4BRARBHTT
SCHEMBL28820484 0.89 TP53 (0.67) TP53TSHRPLA2G4BRARBHTT
SCHEMBL28708025 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL28718548 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL23986318 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL1701663 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL23986568 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL1701662 0.87 TP53 (0.60) TP53TSHRPLA2G4BRARBHTT
SCHEMBL18064417 0.86 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263192-B2 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-09-11 US disclosed
US-8263192-B2 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-09-11 US disclosed
US-20070134420-A1 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-06-14 US disclosed
US-20070134420-A1 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-06-14 US disclosed
WO-2005060668-A2 METHODS OF MODIFYING SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 2005-07-07 WO disclosed