SCHEMBL10035120

SCHEMBL10035120

CN(C)c1ccc2c(C#N)c3ccc(=[N+](C)C)cc-3sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.61
▸ THRB P10828 4/20 0.50
▸ RECQL P46063 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TST Q16762 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ APP P05067 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ BLM P54132 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ APAF1 O14727 3/20 0.49
▸ MAPT P10636 3/20 0.49

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
SCHEMBL15216731 0.72 ABCB1 (0.54) ABCB1THRBRECQLTDP1MAPK1
SCHEMBL18680519 0.68 APP (0.59) ABCB1THRBRECQLTDP1MAPK1
Hydrochloric Acid SCHEMBL31656268 0.67 MAPT (0.60) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL29357640 0.67 THRB (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL29668541 0.67 THRB (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL30664737 0.67 THRB (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL29389009 0.67 THRB (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL29441543 0.66 APP (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL127316 0.66 APP (1.00) ABCB1THRBRECQLTDP1MAPK1
SCHEMBL18680530 0.65 ABCB1 (0.46) ABCB1THRBRECQLTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9651490-B2 Amine-substituted tricyclic fluorescent dyes ATTO-TEC GMBH (DE) 2017-05-16 — — US disclosed
US-9651490-B2 Amine-substituted tricyclic fluorescent dyes ATTO-TEC GMBH (DE) 2017-05-16 — — US disclosed
US-20130224871-A1 Novel Amine-Substituted Tricyclic Fluorescent Dyes ATTO-TEC GMBH (DE) 2013-08-29 — — US disclosed
US-20130224871-A1 Novel Amine-Substituted Tricyclic Fluorescent Dyes ATTO-TEC GMBH (DE) 2013-08-29 — — US disclosed
WO-2012052435-A1 NOVEL AMINE-SUBSTITUTED TRICYCLIC FLUORESCENT DYES ATTO-TEC GMBH (DE) 2012-04-26 — — WO disclosed
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