SCHEMBL15216731

SCHEMBL15216731

CCCCNc1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.54
▸ THRB P10828 4/20 0.44
▸ RECQL P46063 4/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ BLM P54132 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ APAF1 O14727 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GSR P00390 2/20 0.44
▸ APP P05067 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ RAD52 P43351 2/20 0.44

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
SCHEMBL10035109 0.76 MEN1 (0.55) ABCB1THRBRECQLTDP1MEN1
SCHEMBL10035120 0.72 ABCB1 (0.61) ABCB1THRBRECQLTDP1MAPK1
SCHEMBL30272256 0.64 ABCB1 (0.59) ABCB1THRBRECQLTDP1MAPK1
SCHEMBL10035114 0.63 MEN1 (0.53) ABCB1THRBRECQLTDP1MEN1
SCHEMBL18680519 0.63 APP (0.59) ABCB1THRBRECQLTDP1MAPK1
Hydrochloric Acid SCHEMBL31656268 0.62 MAPT (0.60) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL127316 0.61 APP (1.00) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL29441543 0.61 APP (1.00) ABCB1THRBRECQLTDP1MAPK1
SCHEMBL18680530 0.61 ABCB1 (0.46) ABCB1THRBRECQLTDP1MAPK1
Methylene Blue Cation SCHEMBL4227551 0.61 APP (1.00) 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 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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