SCHEMBL7733273

SCHEMBL7733273

CCN(CC)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
CHAT P28329 4/20 0.51
MAPT P10636 7/20 0.49
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALPG P10696 1/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
CTNNB1 P35222 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2311520 0.90 CHAT (0.44) BCHEACHECHATMAPTALDH1A1
SCHEMBL7028949 0.88 MAPT (0.51) BCHEACHECHATMAPTALDH1A1
SCHEMBL7034132 0.88 CHRM2 (0.51) BCHEACHEMAPTALDH1A1MEN1
SCHEMBL3748597 0.87 ALDH1A1 (0.62) BCHEACHECHATMAPTALDH1A1
SCHEMBL4567104 0.87 ALDH1A1 (0.62) BCHEACHECHATMAPTALDH1A1
SCHEMBL7036362 0.85 CHAT (0.47) BCHEACHECHATMAPTALDH1A1
Iodide SCHEMBL592722 0.85 ALDH1A1 (0.66) BCHEACHECHATMAPTALDH1A1
Hydrochloric Acid SCHEMBL28621623 0.85 ALDH1A1 (0.61) BCHEACHECHATMAPTALDH1A1
Iodide SCHEMBL592723 0.85 ALDH1A1 (0.66) BCHEACHECHATMAPTALDH1A1
Hydrochloric Acid SCHEMBL28621621 0.85 ALDH1A1 (0.61) BCHEACHECHATMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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