SCHEMBL12905347

SCHEMBL12905347

O=C(c1cc[n+](CCP(=O)(O)O)cc1)c1cc[n+](CCP(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYMS P04818 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ PGK1 P00558 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
SCHEMBL12905357 0.89 MAPT (0.38) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL1226951 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
Bromide SCHEMBL918125 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL210855 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL602092 0.77 RAB9A (0.39) MEN1KMT2AALDH1A1LMNASRD5A2
SCHEMBL9889761 0.73 MEN1 (0.41) MEN1KMT2AAPAF1RGS12HSP90AA1
SCHEMBL13974630 0.73 SLC6A4 (0.42) MEN1KMT2ALMNAMAPTHTT
Bromide SCHEMBL19894455 0.72 BCHE (0.46) ACHE
Hydrochloric Acid SCHEMBL3364505 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAMAPT
Bromide SCHEMBL2462794 0.72 SLC6A4 (0.41) MEN1KMT2ALMNAMAPTHTT

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
US-8437067-B2 Electrochemical display element KONICA MINOLTA HOLDINGS, INC. (JP) 2013-05-07 — — US disclosed
US-20110013261-A1 ELECTROCHEMICAL DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-20 — — US disclosed
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