SCHEMBL6554111

SCHEMBL6554111

CC(=O)OCCN(C)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
ALDH1A1 P00352 6/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTT P42858 2/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3036233 0.83 RAD52 (0.51) RAD52ALDH1A1CHRM1CHRNB2CHRNA4
SCHEMBL6553839 0.81 ALDH1A1 (0.38) RAD52ALDH1A1HTTTSHRMEN1
SCHEMBL8745191 0.80 DNM1 (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9680443 0.78 CYP2A6 (0.46) RAD52ALDH1A1LMNAMAPTKMT2A
SCHEMBL3040413 0.77 BRAF (0.34) MEN1KMT2A
SCHEMBL6555905 0.74 SMN1; SMN2 (0.47) GAAMAPT
SCHEMBL11331220 0.73 KMT2A (0.47) ALDH1A1HTTMTNR1AMTNR1BTSHR
SCHEMBL20746157 0.73 RAD52 (0.52) RAD52ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL12088114 0.73 RAD52 (0.43) RAD52ALDH1A1MTNR1AMTNR1B
SCHEMBL8767879 0.73 RAD52 (0.46) RAD52ALDH1A1MTNR1AMTNR1BLMNA

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
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed