SCHEMBL9051205

SCHEMBL9051205

O=CCCCSSCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 10/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KAT2B Q92831 2/20 0.42
PRSS1 P07477 3/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9051926 0.94 BCHE (0.50) BCHEACHEMAPTPOLBPKM
SCHEMBL9051771 0.89 BCHE (0.57) BCHEACHEMAPTPOLBPKM
SCHEMBL14342920 0.86 MAPT (0.55) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9790483 0.83 BCHE (0.52) BCHEACHEMAPTPOLBPKM
SCHEMBL8147273 0.79 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9049943 0.79 MAPT (0.52) BCHEACHEMAPTPOLBPKM
SCHEMBL8107611 0.79 MAPT (0.60) BCHEACHEMAPTPOLBPKM
SCHEMBL9052218 0.76 MAPT (0.51) BCHEACHEMAPTPOLBPKM
SCHEMBL6746867 0.74 ALDH1A1 (0.53) BCHEACHEMAPTPOLBPKM
SCHEMBL10804680 0.74 ALDH1A1 (0.66) MAPTPOLBPKMALDH1A1MEN1

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 7 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-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-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
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