SCHEMBL7035147

SCHEMBL7035147

CC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
KDM4A O75164 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CTNNB1 P35222 1/20 0.37
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7033871 0.96 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7731833 0.90 CHAT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7033836 0.89 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7034023 0.89 KDM4A (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7036362 0.88 CHAT (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7034132 0.87 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7030962 0.87 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7030958 0.87 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2311520 0.87 CHAT (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7032490 0.84 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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-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-A1 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-03-13 WO disclosed