SCHEMBL17203573

SCHEMBL17203573

Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
Hydrochloric Acid SCHEMBL3156594 0.91 GAA (0.34) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL18527599 0.90 LMNA (0.32) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL21048966 0.81 GABRA1 (0.36) HPGDGAA
Hydrochloric Acid SCHEMBL1697483 0.72 MAPT (0.34) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3156602 0.71 GABRA1 (0.40) ALDH1A1HPGDGAAMAPT
SCHEMBL18527602 0.71 GABRA1 (0.37) ALDH1A1HPGDGAAMAPT
SCHEMBL442095 0.69 ALDH1A1 (0.33) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1609624 0.69 — —
Hydrochloric Acid SCHEMBL442699 0.68 ALDH1A1 (0.32) ALDH1A1MAPT
Bromide SCHEMBL1608734 0.68 ALDH1A1 (0.32) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134422-B1 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME UNIV STUTTGART (DE) 2019-06-12 — — EP disclosed
EP-3134422-A2 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME Universität Stuttgart (DE) 2017-03-01 — — EP disclosed
WO-2015162245-A2 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME Universität Stuttgart (DE) 2015-10-29 — — WO disclosed
Send feedback