SCHEMBL7036731

SCHEMBL7036731

CCN(CCO)c1ccc(C=Cc2cc[n+](C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 7/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALPG P10696 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 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
SCHEMBL7036729 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1LMNA
Iodide SCHEMBL7034947 0.98 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
Iodide SCHEMBL7034942 0.98 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15587307 0.92 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1LMNA
Iodide SCHEMBL7034051 0.91 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1LMNA
Iodide SCHEMBL7034058 0.91 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL2311520 0.89 CHAT (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL19003855 0.88 CHRM2 (0.52) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3748597 0.87 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4567104 0.87 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1LMNA

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-20030022105-A1 TWO -PHOTON UPCONVERTING DYES AND APPLICATIONS PRASAD PARAS N (US) 2003-01-30 US disclosed
US-6402037-B1 Two-photon upconverting dyes and applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-06-11 US disclosed
EP-0862432-A1 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-09 EP disclosed
WO-1997009043-A1 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-03-13 WO disclosed