SCHEMBL7032473

SCHEMBL7032473

Cc1cc[n+](C)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
SLC6A4 P31645 1/20 0.54
CHAT P28329 3/20 0.43
LMNA P02545 4/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
HDAC8 Q9BY41 3/20 0.36
KDM4E B2RXH2 2/20 0.35
APOBEC3A P31941 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL577807 0.84 SLC22A2 (0.54) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL7034016 0.79 ACHE (0.53) LMNATSHRALOX12ACHEMAPT
SCHEMBL5909841 0.79 ACHE (0.53) LMNATSHRALOX12ACHEMAPT
SCHEMBL80079 0.78
SCHEMBL8987994 0.77 SLC6A4 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Toluene SCHEMBL11063542 0.77 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL21810702 0.77 ACHE (0.50) LMNATSHRALOX12ACHEMAPT
SCHEMBL21810715 0.77 ACHE (0.50) LMNATSHRALOX12ACHEMAPT
SCHEMBL6238003 0.76 HDAC8 (0.67) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Hydrochloric Acid SCHEMBL968499 0.75

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 6 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
US-5912257-A COMPRISING A MATRIX AND STYRYL DYES AND CPOPOSITIONS SHOWING SUPERIOR TWO PHOTON ABSORPTION CROSS-SECTIONS; LASER COMPRISING SOUCE CAPABLE OF PRODUCING INFRARED RADIATION; MULTIPHASE MULTISTRUCTURAL COMPOSITES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-06-15 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-A9 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS 1997-09-18 WO 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