SCHEMBL21841998

SCHEMBL21841998

OCc1ccc(Cn2cc[n+](Cc3ccc(Cn4cc[n+](Cc5ccc(CO)cc5)c4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 8/20 0.47
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
NT5E P21589 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL20622751 0.89 CHKA (0.39) CHKACYP11B1CYP11B2MEN1KMT2A
SCHEMBL10326004 0.84 MAPT (0.47) CHKACYP11B1CYP11B2MEN1KMT2A
Hydrochloric Acid SCHEMBL2533086 0.83 CYP2A6 (0.46) CHKACYP11B1CYP11B2MEN1KMT2A
SCHEMBL1044026 0.82 MAPT (0.48) CHKACYP11B1CYP11B2MEN1KMT2A
SCHEMBL12576093 0.82 MEN1 (0.38) CHKACYP11B1CYP11B2MEN1KMT2A
Bromide SCHEMBL2530194 0.81 CYP19A1 (0.44) CHKACYP11B1CYP11B2MEN1KMT2A
Bromide SCHEMBL2531327 0.81 MEN1 (0.37) CHKAMEN1KMT2AMAPTBCHE
Bromide SCHEMBL2529292 0.81 NPC1 (0.45) CHKACYP11B1CYP11B2MEN1KMT2A
Hydrochloric Acid SCHEMBL9343068 0.81 MAPT (0.47) CHKACYP11B1CYP11B2MEN1KMT2A
Bromide SCHEMBL1046638 0.81 MEN1 (0.50) CHKACYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020060494-A1 ACID-SENSITIVE DEGRADABLE IMIDAZOLIUM POLYMERS FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-03-26 WO disclosed