SCHEMBL9051771

SCHEMBL9051771

O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
MAPT P10636 7/20 0.54
POLB P06746 2/20 0.54
PKM P14618 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KAT2B Q92831 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
HCAR3 P49019 1/20 0.46
PRSS1 P07477 1/20 0.46
CTDSP1 Q9GZU7 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
SCHEMBL9790483 0.93 BCHE (0.52) BCHEACHEMAPTPOLBPKM
SCHEMBL9051926 0.91 BCHE (0.50) BCHEACHEMAPTPOLBPKM
SCHEMBL9051205 0.89 BCHE (0.49) BCHEACHEMAPTPOLBPKM
SCHEMBL8107611 0.89 MAPT (0.60) BCHEACHEMAPTPOLBPKM
SCHEMBL8147273 0.85 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9052218 0.85 MAPT (0.51) BCHEACHEMAPTPOLBPKM
SCHEMBL9049943 0.83 MAPT (0.52) BCHEACHEMAPTPOLBPKM
SCHEMBL6746867 0.83 ALDH1A1 (0.53) BCHEACHEMAPTPOLBPKM
SCHEMBL13043461 0.83 KAT2B (0.49) MAPTPOLBPKMALDH1A1KMT2A
SCHEMBL10804680 0.83 ALDH1A1 (0.66) MAPTPOLBPKMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444158-B1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE UNIV CALIFORNIA (US) 1996-01-03 EP disclosed
EP-0368562-B1 Determination of the functionalization of a solid support MERCK & CO INC (US) 1995-09-13 EP disclosed
US-5314817-A Hapten modified with pyrimidine dimer or benzylammonium group, useful in reactions of proteins, nucleic acids and carbohydrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-05-24 US disclosed
US-5302516-A Polypeptides having a binding site specific for a reactant and having an active functionality near that site to promote or catalyze the reaction; kinetics REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-04-12 US disclosed
US-5215889-A CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-01 US disclosed
US-5162218-A Conjugated polypeptides and methods for their preparation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-11-10 US disclosed
EP-0444158-A4 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE 1992-06-24 EP disclosed
EP-0445214-A4 CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE 1991-11-13 EP disclosed
EP-0445214-A1 CATALYTIC AND REACTIVE ANTIBODIES AND ANTIBODY FRAGMENTS AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-11 EP disclosed
EP-0444158-A1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE. UNIV CALIFORNIA (US) 1991-09-04 EP disclosed
US-4988625-A CARBONYLDIIMIDAZOLE TREATMENT OF THE SUPPORT CROSSLINKING TO FORM A CARBAMATE WITH POLYSACCHARIDES MERCK & CO., INC. (US) 1991-01-29 US disclosed
WO-1990005746-A1 CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed
WO-1990005749-A1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed
EP-0368562-A2 Determination of the functionalization of a solid support MERCK & CO. INC. (US) 1990-05-16 EP disclosed