SCHEMBL20622751

SCHEMBL20622751

OCc1ccc(Cn2cc[n+](Cc3ccccc3Cn3cc[n+](Cc4ccc(CO)cc4)c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RECQL P46063 1/20 0.32
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL13319087 0.89 MAPT (0.43) CHKAMEN1KMT2AMAPTCYP11B1
SCHEMBL21841998 0.89 CHKA (0.47) CHKAMEN1KMT2AMAPTCYP11B1
SCHEMBL15179014 0.88 MEN1 (0.36) CHKAMEN1KMT2AMAPTRECQL
SCHEMBL15179013 0.83 MEN1 (0.33) MEN1KMT2AMAPT
SCHEMBL15179018 0.82 MEN1 (0.35) MEN1KMT2AMAPT
SCHEMBL10326004 0.81 MAPT (0.47) CHKAMEN1KMT2AMAPTCYP11B1
SCHEMBL1044026 0.79 MAPT (0.48) CHKAMEN1KMT2AMAPTCYP11B1
Water SCHEMBL31529732 0.78 MAPT (0.47) CHKAMEN1KMT2AMAPTCYP11B1
Hydrochloric Acid SCHEMBL9343068 0.78 MAPT (0.47) CHKAMEN1KMT2AMAPTCYP11B1
Bromide SCHEMBL1046638 0.78 MEN1 (0.50) CHKAMEN1KMT2AMAPTCYP11B1

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-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
WO-2019004940-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-03 WO disclosed