SCHEMBL7902533

SCHEMBL7902533

C=CCN(CC=C)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 1/20 0.44
ACHE P22303 2/20 0.41
CYP3A4 P08684 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.38
PTPN1 P18031 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
CETP P11597 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL29082976 0.91 ALDH1A1 (0.44) TDP1TP53ACHECYP3A4HTT
SCHEMBL11694484 0.87 TP53 (0.37) TDP1TP53CYP3A4HTTCYP1A2
SCHEMBL10694157 0.86 CHKA (0.41) TDP1CYP3A4MAPTPTPN1UTS2R
SCHEMBL9292809 0.81 RECQL (0.41) TDP1TP53ACHECYP3A4HTT
SCHEMBL15324519 0.79 CRHR1 (0.41) ALDH1A1SIGMAR1CHKALMNAC5AR1
SCHEMBL2516873 0.79 SLC6A2 (0.49) HTTCYP2C9CYP2C19CYP2D6RECQL
SCHEMBL10931233 0.78 NFE2L2 (0.39) ACHECYP3A4CYP1A2CYP2D6PTPN1
SCHEMBL564593 0.78 CYP2A6 (0.46) TDP1CYP1A2ALDH1A1SIGMAR1CHKA
SCHEMBL5306209 0.77 ALDH1A1 (0.58) ACHECYP3A4MAPTPTPN1ALDH1A1
SCHEMBL609647 0.77 TDP1 (0.44) TDP1TP53CYP3A4MAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4607124-A REACTING SQUARIC ACID, AROMATIC AMINE AND A FLUOROANILINE IN PRESENCE OF ALIPHATIC ALCOHOL XEROX CORPORATION (US) 1986-08-19 US claimed
US-9588123-B2 Compositions and methods for in vitro diagnostic tests including zwitterionic solubilization reagent SURMODICS IVD, INC. (US) 2017-03-07 US disclosed
EP-2841592-B1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING SULFONIC ACID SURMODICS INC (US) 2017-02-22 EP disclosed
US-9229005-B2 Compositions and methods for in vitro diagnostic tests including sulfonic acid compound SURMODICS IVD, INC. (US) 2016-01-05 US disclosed
US-20150293110-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING ZWITTERIONIC SOLUBILIZATION REAGENT BANK OF MONTREAL, AS COLLATERAL AGENT 2015-10-15 US disclosed
WO-2015157637-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING ZWITTERIONIC SOLUBILIZATION REAGENT SURMODICS IVD, INC. (US) 2015-10-15 WO disclosed
US-8927226-B2 Compositions and methods for in vitro diagnostic tests including sulfonic acid SURMODICS, INC. (US) 2015-01-06 US disclosed
US-20140234874-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING SULFONIC ACID SURMODICS, INC. (US) 2014-08-21 US disclosed
US-20130252261-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING SULFONIC ACID COMPOUND BANK OF MONTREAL, AS COLLATERAL AGENT 2013-09-26 US disclosed
EP-1082453-A1 LIQUID REAGENT SET FOR L-LACTATE DETERMINATION Roche Diagnostics Corporation (US) 2001-03-14 EP disclosed
US-6030802-A Liquid reagent set for L-lactate determination ROCHE DIAGNOSTICS CORPORATION (US) 2000-02-29 US disclosed
WO-1999061657-A1 LIQUID REAGENT SET FOR L-LACTATE DETERMINATION ROCHE DIAGNOSTICS CORPORATION (US) 1999-12-02 WO disclosed
EP-0415471-B1 Stabilized Trinder reagent INSTRUMENTATION LAB SPA (IT) 1994-11-09 EP disclosed
US-5206006-A Peroxidase enzyme; phenylpyrazone derivative phenol or aromatic amine; stabilizer; storage discoloration inhibition INSTRUMENTATION LABORATORY SPA (IT) 1993-04-27 US disclosed
US-5108733-A Inhibiting coloration development by adding stabilizers INSTRUMENTATION LABORATORY S.P.A. (IT) 1992-04-28 US disclosed
EP-0415471-A2 Stabilized Trinder reagent INSTRUMENTATION LABORATORY S.p.A. (IT) 1991-03-06 EP disclosed
EP-0012350-B1 AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN THE DYEING OF N-CONTAINING MATERIALS BAYER AG (DE) 1982-04-07 EP disclosed
EP-0012350-A1 Azo dyestuffs, their preparation and their use in the dyeing of N-containing materials BAYER AG (DE) 1980-06-25 EP disclosed