SCHEMBL8007151

SCHEMBL8007151

CC[n+]1c(C)sc2c3ccccc3ccc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 4/20 0.41
▸ HKDC1 Q2TB90 2/20 0.38
▸ HK1 P19367 1/20 0.37
▸ RAD52 P43351 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
SCHEMBL6354061 0.89 ALDH1A1 (0.42) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL13979716 0.85 MAPT (0.56) MAPTKDM4EMEN1RAB9AKMT2A
Iodide SCHEMBL3053673 0.84 MAPT (0.58) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL8797230 0.83 KDM4E (0.36) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL4120155 0.81 MAPT (0.48) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL8861440 0.81 MAPT (0.33) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL11599645 0.79 KDM4E (0.42) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL8861444 0.78 KDM4E (0.34) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL2030271 0.78 MAPT (0.54) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL7256860 0.78 KDM4E (0.43) MAPTKDM4EMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738786-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2017-08-22 — — US disclosed
EP-2758475-B1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD (GB) 2017-04-26 — — EP disclosed
US-20160355683-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-12-08 — — US disclosed
US-9376568-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-28 — — US disclosed
US-20150274976-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2015-10-01 — — US disclosed
US-9085698-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2015-07-21 — — US disclosed
US-20140323741-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD. (GB) 2014-10-30 — — US disclosed
EP-2758475-A1 DYES FOR LABELLING MOLECULAR LIGANDS Illumina Cambridge Limited (GB) 2014-07-30 — — EP disclosed
WO-2013041117-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIGDE LTD. (GB) 2013-03-28 — — WO disclosed
US-6143434-A HIGH LUMINANCE AND A HIGH LUMINESCENT EFFICIENCY AT A LOW DRIVING VOLTAGE AND HAS EXCELLENT STABILITY IN REPETITIONS OF USE FUJI PHOTO FILM CO., LTD. (JP) 2000-11-07 — — US disclosed
EP-0527494-B1 Compositon containing rhodacyanine dyes for treating cancer FUJI PHOTO FILM CO LTD (JP) 1996-11-06 — — EP disclosed
US-5360803-A Rhodocyanine dyes DAN FARBER CANCER INSTITUTE (US) 1994-11-01 — — US disclosed
EP-0527494-A1 Compositon containing rhodacyanine dyes for treating cancer Fuji Photo Film Co., Ltd. (JP) 1993-02-17 — — EP disclosed
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