SCHEMBL7034016

SCHEMBL7034016

Cc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5909841 1.00 ACHE (0.53) ACHELMNATSHRALOX12TDP1
SCHEMBL21810715 0.97 ACHE (0.50) ACHELMNATSHRALOX12TDP1
SCHEMBL21810702 0.97 ACHE (0.50) ACHELMNATSHRALOX12TDP1
SCHEMBL473142 0.88 ACHE (0.57) ACHELMNATSHRALOX12TDP1
Tetraphenylphosphonium SCHEMBL23455574 0.87 TSHR (0.40) ACHELMNATSHRALOX12TDP1
SCHEMBL21360104 0.85 LMNA (0.43) ACHELMNATSHRALOX12TDP1
SCHEMBL15452864 0.85 ACHE (0.53) ACHELMNATSHRALOX12TDP1
Lithium Ion SCHEMBL136304 0.85 ACHE (0.53) ACHELMNATSHRALOX12TDP1
Potassium Ion SCHEMBL133256 0.85 ACHE (0.53) ACHELMNATSHRALOX12TDP1
SCHEMBL135348 0.85 ACHE (0.53) ACHELMNATSHRALOX12TDP1

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 8 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
WO-2001037266-A9 THREE DIMENSIONAL DATA STORAGE DEVICE AND METHOD FOR READING UNIV NEW YORK STATE RES FOUND (US) 2002-05-23 WO disclosed
WO-2001037266-A1 THREE DIMENSIONAL DATA STORAGE DEVICE AND METHOD FOR READING THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-05-25 WO 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