SCHEMBL15216732

SCHEMBL15216732

CCCCNc1c2ccc(=[N+](C)C)cc-2n(CCCC(=O)O)c2cc(N(C)C)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ FABP4 P15090 2/20 0.32
▸ FABP5 Q01469 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL10035122 0.81 ABCB1 (0.34) ABCB1DYRK1AFABP4FABP5MEN1
SCHEMBL10035114 0.72 MEN1 (0.53) ABCB1MEN1KMT2ATDP1MAPT
SCHEMBL10035151 0.70 FABP4 (0.49) DYRK1AFABP4FABP5TDP1MAPT
SCHEMBL10035109 0.69 MEN1 (0.55) ABCB1MEN1KMT2ATDP1THRB
SCHEMBL865108 0.58 ALDH1A1 (0.50) MEN1KMT2ATDP1MAPTHDAC1
Stearic Acid SCHEMBL28697515 0.57 GPR84 (0.59) FABP4FABP5MEN1KMT2ATDP1
SCHEMBL16255533 0.57 GRIN2D (0.64) FABP4FABP5MEN1KMT2ATDP1
Stearic Acid SCHEMBL28445223 0.56 GPR84 (0.57) FABP4FABP5MEN1KMT2ATDP1
Stearic Acid SCHEMBL28445225 0.56 GPR84 (0.57) FABP4FABP5MEN1KMT2ATDP1
Palmitic Acid SCHEMBL8631165 0.56 GPR84 (0.47) FABP4FABP5MEN1KMT2ATDP1

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 4 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
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