SCHEMBL10035114

SCHEMBL10035114

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ P2RY6 Q15077 1/20 0.47
▸ HTR3A P46098 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ P2RY2 P41231 1/20 0.40
▸ GBA1 P04062 2/20 0.40
▸ ITPR1 Q14643 1/20 0.40
▸ MAPT P10636 1/20 0.37

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 0.86 MEN1 (0.55) MEN1KMT2ATDP1THRBRECQL
SCHEMBL18680518 0.80 MEN1 (0.58) MEN1KMT2ATDP1THRBRECQL
SCHEMBL14204764 0.78 P2RY6 (0.60) MEN1KMT2ATDP1THRBRECQL
SCHEMBL14840850 0.76 MEN1 (0.64) MEN1KMT2ATDP1THRBRECQL
SCHEMBL15216732 0.72 ABCB1 (0.32) MEN1KMT2ATDP1THRBRECQL
SCHEMBL15216730 0.71 MEN1 (0.61) MEN1KMT2ATDP1THRBRECQL
SCHEMBL21648627 0.71 MEN1 (0.57) MEN1KMT2ATDP1THRBRECQL
SCHEMBL18947689 0.71 P2RY6 (0.65) MEN1KMT2ATDP1THRBRECQL
SCHEMBL18778621 0.71 MEN1 (0.57) MEN1KMT2ATDP1THRBRECQL
SCHEMBL14840738 0.70 MEN1 (0.68) MEN1KMT2ATDP1THRBRECQL

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 3 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
WO-2012052435-A1 NOVEL AMINE-SUBSTITUTED TRICYCLIC FLUORESCENT DYES ATTO-TEC GMBH (DE) 2012-04-26 — — WO disclosed
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