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SCHEMBL6976828

SCHEMBL6976828

CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(OC)cc3C)ccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ VDR P11473 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL5851863 0.91 MEN1 (0.48) MEN1LMNAMAPTTHRBHTT
SCHEMBL4615653 0.88 MAPT (0.56) MEN1LMNAMAPTTHRBHTT
SCHEMBL4617512 0.80 MAPT (0.65) MEN1LMNAMAPTTHRBHTT
Iodide SCHEMBL3852244 0.79 MAPT (0.68) MEN1LMNAMAPTTHRBHTT
Hydrochloric Acid SCHEMBL4613612 0.79 MAPT (0.63) MEN1LMNAMAPTTHRBHTT
Bromide SCHEMBL4615096 0.79 MAPT (0.63) MEN1LMNAMAPTTHRBHTT
SCHEMBL4616667 0.78 MAPT (0.58) MEN1LMNAMAPTTHRBHTT
SCHEMBL6980717 0.77 MEN1 (0.55) MEN1LMNAMAPTTHRBHTT
SCHEMBL6980947 0.77 MEN1 (0.58) MEN1LMNAMAPTTHRBHTT
Sulfuric Acid SCHEMBL4614834 0.77 KMT2A (0.57) MEN1LMNAMAPTTHRBHTT

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-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 — — EP disclosed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 — — WO disclosed