SCHEMBL6981345

SCHEMBL6981345

CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5850163 0.92 LMNA (0.45) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6980717 0.77 MEN1 (0.55) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6979491 0.77 MEN1 (0.44) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6976299 0.76 MEN1 (0.48) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6980947 0.75 MEN1 (0.58) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6976828 0.74 MEN1 (0.46) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6981564 0.74 MEN1 (0.51) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL6979947 0.71 MEN1 (0.53) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL4615653 0.69 MAPT (0.56) MEN1LMNAMAPTKMT2ATHRB
SCHEMBL5850212 0.68 MEN1 (0.58) MEN1LMNAMAPTKMT2ATHRB

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