SCHEMBL15216728

SCHEMBL15216728

CN(C)c1ccc2c(NCCCCCOC=O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ P2RY6 Q15077 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ITPR1 Q14643 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ P2RY2 P41231 1/20 0.36
▸ GBA1 P04062 2/20 0.35
▸ GPR3 P46089 3/20 0.34

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
SCHEMBL10035114 0.84 MEN1 (0.53) MEN1THRBRECQLBLMKMT2A
SCHEMBL10035109 0.83 MEN1 (0.55) MEN1THRBRECQLBLMKMT2A
SCHEMBL10013630 0.69 P2RY6 (0.59) MEN1THRBRECQLBLMKMT2A
SCHEMBL14013309 0.69 MEN1 (0.66) MEN1THRBRECQLBLMKMT2A
SCHEMBL12252414 0.69 MEN1 (0.66) MEN1THRBRECQLBLMKMT2A
SCHEMBL16574888 0.68 MEN1 (0.62) MEN1THRBRECQLBLMKMT2A
SCHEMBL21885517 0.68 MEN1 (0.59) MEN1THRBRECQLBLMKMT2A
SCHEMBL24522770 0.68 KCNA3 (0.45) MEN1KMT2ATDP1L3MBTL1CA12
SCHEMBL15216730 0.67 MEN1 (0.61) MEN1THRBRECQLBLMKMT2A
SCHEMBL21648627 0.67 MEN1 (0.57) MEN1THRBRECQLBLMKMT2A

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
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
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