SCHEMBL7034006

SCHEMBL7034006

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
MAPT P10636 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HTT P42858 3/20 0.71
ALDH1A1 P00352 3/20 0.71
GFER P55789 3/20 0.71
LMNA P02545 2/20 0.71
THRB P10828 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ALPG P10696 1/20 0.71
RELA Q04206 1/20 0.59
CHAT P28329 2/20 0.56
GAA P10253 2/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53
CASP7 P55210 1/20 0.53
HBB P68871 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52

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
SCHEMBL7028949 0.86 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL1898081 0.85 MEN1 (0.96) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL1898080 0.85 MEN1 (0.96) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7733273 0.84 BCHE (0.52) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7025950 0.84 KDM4A (0.55) MEN1KMT2AMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28626066 0.84 MEN1 (0.92) MEN1KMT2AMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28626064 0.84 MEN1 (0.92) MEN1KMT2AMAPTSMN1; SMN2HTT
Iodide SCHEMBL531167 0.84 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2HTT
Iodide SCHEMBL531166 0.84 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7034984 0.83 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2HTT

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-20030022105-A1 TWO -PHOTON UPCONVERTING DYES AND APPLICATIONS PRASAD PARAS N (US) 2003-01-30 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