SCHEMBL9052218

SCHEMBL9052218

O=[N+]([O-])c1ccc(NCCSSCCC2OCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
POLB P06746 2/20 0.51
PKM P14618 2/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
HCAR3 P49019 2/20 0.40
PRSS1 P07477 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9049943 0.93 MAPT (0.52) MAPTPOLBPKMBCHEACHE
SCHEMBL9051771 0.85 BCHE (0.57) MAPTPOLBPKMBCHEACHE
SCHEMBL9790483 0.79 BCHE (0.52) MAPTPOLBPKMBCHEACHE
SCHEMBL9051926 0.77 BCHE (0.50) MAPTPOLBPKMBCHEACHE
SCHEMBL9051205 0.76 BCHE (0.49) MAPTPOLBPKMBCHEACHE
SCHEMBL9751754 0.76 MAPT (0.52) MAPTPOLBPKMBCHEACHE
SCHEMBL8107611 0.75 MAPT (0.60) MAPTPOLBPKMBCHEACHE
SCHEMBL6746867 0.73 ALDH1A1 (0.53) MAPTPOLBPKMBCHEACHE
SCHEMBL563763 0.73 PKM (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8147273 0.73 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1

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
EP-0444158-B1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE UNIV CALIFORNIA (US) 1996-01-03 EP 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-5162218-A Conjugated polypeptides and methods for their preparation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-11-10 US disclosed
EP-0436650-A1 HYDRATED LIPIDIC LAMELLAR PHASES OR LIPOSOMES BASED ON ECDYSTEROIDS. LVMH RECH (FR) 1991-07-17 EP disclosed
WO-1990003778-A1 HYDRATED LIPIDIC LAMELLAR PHASES OR LIPOSOMES BASED ON ECDYSTEROIDS LVMH RECHERCHE (FR) 1990-04-19 WO disclosed