SCHEMBL6418102

SCHEMBL6418102

CCCCCCCCCCN(CCCCCCCCCC)C(=Cc1ccccc1)c1cc[n+](CCCS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
APAF1 O14727 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
RGS12 O14924 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAD52 P43351 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.36
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL25174362 1.00 HSP90AA1 (0.39) HSP90AA1APAF1MEN1MAPK1KMT2A
SCHEMBL9016127 1.00 HSP90AA1 (0.39) HSP90AA1APAF1MEN1MAPK1KMT2A
SCHEMBL8911261 0.81 TDP1 (0.39) MAPK1LMNAHTTNPSR1ALDH1A1
SCHEMBL5128478 0.79 LMNA (0.41) LMNASMN1; SMN2TDP1KCNH2
SCHEMBL5499677 0.78 LMNA (0.47) LMNATDP1KCNH2
SCHEMBL2428644 0.78 LMNA (0.47) LMNATDP1KCNH2
SCHEMBL6379933 0.74 HPGD (0.45) LMNAALDH1A1TDP1MAPTACHE
SCHEMBL6090753 0.74 HPGD (0.45) LMNAALDH1A1TDP1MAPTACHE
SCHEMBL9798372 0.74 TDP1 (0.47) LMNATDP1KCNH2
SCHEMBL18289686 0.74 CHRM2 (0.48) HTTCHRM2CHRM1KDM4AKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471792-A4 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES 1992-09-16 EP claimed
US-5135848-A METHODS FOR EVALUATING CHOLESTEROL METABOLISM AND REAGENTS THEREFOR LEHIGH UNIVERSITY AND NORTHEAST BENJAMIN FRANKLIN TECHNOLOGY CENTER OF PA (US) 1992-08-04 US claimed
EP-0471792-A1 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES Zynaxis Inc. (US) 1992-02-26 EP claimed
WO-1990014435-A1 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES ZYNAXIS TECHNOLOGIES, INC. (US) 1990-11-29 WO claimed
WO-1990002334-A1 REAGENTS AND METHODS FOR DETERMINATION OF ANALYTES ZYNAXIS TECHNOLOGIES, INC. (US) 1990-03-08 WO claimed
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
EP-0590145-B1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1998-09-02 EP disclosed
US-5512490-A SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS TRUSTEES OF TUFTS COLLEGE (US) 1996-04-30 US disclosed
EP-0590145-A4 FIBER OPTIC SENSOR, APPARATUS, AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1994-08-24 EP disclosed
EP-0590145-A1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE THE TRUSTEES OF TUFTS COLLEGE (US) 1994-04-06 EP disclosed
WO-1993021513-A1 FIBER OPTIC SENSOR, APPARATUS, AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TRUSTEES OF TUFTS COLLEGE (US) 1993-10-28 WO disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 US disclosed
US-5135848-A METHODS FOR EVALUATING CHOLESTEROL METABOLISM AND REAGENTS THEREFOR LEHIGH UNIVERSITY AND NORTHEAST BENJAMIN FRANKLIN TECHNOLOGY CENTER OF PA (US) 1992-08-04 US disclosed