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SCHEMBL6980947

SCHEMBL6980947

CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3cc(C)cc(C)c3)ccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL5850326 0.90 MEN1 (0.61) MEN1LMNAMAPTTHRBHTT
SCHEMBL6980717 0.87 MEN1 (0.55) MEN1LMNAMAPTTHRBHTT
SCHEMBL6981564 0.84 MEN1 (0.51) MEN1LMNAMAPTTHRBHTT
SCHEMBL6979947 0.83 MEN1 (0.53) MEN1LMNAMAPTTHRBHTT
SCHEMBL6976299 0.79 MEN1 (0.48) MEN1LMNAMAPTTHRBHTT
SCHEMBL4615653 0.78 MAPT (0.56) MEN1LMNAMAPTTHRBHTT
SCHEMBL5850212 0.77 MEN1 (0.58) MEN1LMNAMAPTTHRBHTT
SCHEMBL6976828 0.77 MEN1 (0.46) MEN1LMNAMAPTTHRBHTT
SCHEMBL2614402 0.76 LMNA (0.97) MEN1LMNAMAPTTHRBHTT
SCHEMBL6979491 0.76 MEN1 (0.44) 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