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SCHEMBL6858186

SCHEMBL6858186

c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.39
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ ACMSD Q8TDX5 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL6251952 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL4579646 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL14111982 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL18069076 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL14263618 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL196148 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL12730981 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL20707468 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL20622956 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E
SCHEMBL10135982 1.00 SIGMAR1 (0.39) SIGMAR1ESR1ESR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004061048-A1 COMPLEX FLUORENE-CONTAINING COMPOUNDS AND ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2004-07-22 — — WO disclosed