SCHEMBL8991523

SCHEMBL8991523

CN(C)c1ccc(C=Cc2cc[n+](C)cc2)cc1.COS(=O)(=O)[O-]

nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
MAPT P10636 5/20 0.69
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
GFER P55789 2/20 0.69
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
ALPG P10696 1/20 0.69
THRB P10828 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
GAA P10253 2/20 0.55
CASP1 P29466 2/20 0.55
HBB P68871 2/20 0.55
BRCA1 P38398 1/20 0.55
CASP7 P55210 1/20 0.55
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
PTGS1 P23219 1/20 0.47
APOBEC3A P31941 1/20 0.47

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
SCHEMBL9140957 1.00 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3871882 0.87 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1898080 0.84 MEN1 (0.96) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1898081 0.84 MEN1 (0.96) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20298611 0.83 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3475924 0.83 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Iodide SCHEMBL531166 0.82 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Iodide SCHEMBL531167 0.82 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28626066 0.82 MEN1 (0.92) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28626064 0.82 MEN1 (0.92) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62212466-A None JP disclosed
EP-0482207-B1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES (JP) 1996-07-24 EP disclosed
EP-0250099-B1 ORGANIC NONLINEAR OPTICAL MATERIAL TORAY INDUSTRIES, INC. (JP) 1993-01-27 EP disclosed
US-5169986-A Benzylidene-aniline derivative; laser resistance, durability TORAY INDUSTRIES, INC. (JP) 1992-12-08 US disclosed
EP-0482207-A1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES, INC. (JP) 1992-04-29 EP disclosed
US-5106997-A For nonlinear optical elements, storage stability, heat and light resistant FUJI XEROX CO., LTD. (JP) 1992-04-21 US disclosed
US-4987255-A EXCELLENT RESISTANCE TO LASER DAMAGE TORAY INDUSTRIES, INC. (JP) 1991-01-22 US disclosed
US-4893888-A Optical wavelength converter device FUJI PHOTO FILM CO., LTD. (JP) 1990-01-16 US disclosed
EP-0300471-A1 Optical wavelength converter device FUJI PHOTO FILM CO., LTD. (JP) 1989-01-25 EP disclosed
JP-S62212466-A PRODUCTION OF STILBAZOLIUM SALT CRYSTAL TORAY IND INC 1987-09-18 JP disclosed