SCHEMBL8713797

SCHEMBL8713797

C(=CNCc1ccccc1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.65
ADH1C P00326 1/20 0.65
ADH1A P07327 1/20 0.65
ADH7 P40394 1/20 0.65
KMT2A Q03164 3/20 0.52
IDO1 P14902 2/20 0.52
MEN1 O00255 2/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX12 P18054 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL29798082 1.00 ADH1B (0.65) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL24060195 0.93 ADH1B (0.58) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL12146368 0.89 ADH1B (0.54) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL13373221 0.89 ADH1B (0.54) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL12605372 0.85 ADH1B (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL14159090 0.85 ADH1B (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL656733 0.85 ADH1B (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL17092515 0.85 ADH1B (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL8747421 0.84 ADH1B (0.54) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL6664295 0.84 MAOB (0.58) ADH1BADH1CADH1AADH7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824681-A Organic salts of N,N'-diacetyl cystine ASTRA AKTIEBOLAG (SE) 1998-10-20 US claimed
US-5693858-A REACTING N-ACETYLCYSTEINE WITH ORGANIC BASE, OXIDIZING N-ACETLCYSTEINE SALT, AND PRECIPITATING AND ISOLATING PRODUCT ASTRA AKTIEBOLAG (SE) 1997-12-02 US claimed
US-5650538-A Organic salts of N,N'-diacetyl cystine ASTRA AKTIEBOLAG (SE) 1997-07-22 US claimed
US-5824681-A Organic salts of N,N'-diacetyl cystine ASTRA AKTIEBOLAG (SE) 1998-10-20 US disclosed
US-5804582-A ADMINISTERING IMMUNOGENIC ORGANIC AMINE SALT OF N,N'-DIACETYLCYSTINE ASTRA AKTIEBOLAG (SE) 1998-09-08 US disclosed
US-5693858-A REACTING N-ACETYLCYSTEINE WITH ORGANIC BASE, OXIDIZING N-ACETLCYSTEINE SALT, AND PRECIPITATING AND ISOLATING PRODUCT ASTRA AKTIEBOLAG (SE) 1997-12-02 US disclosed
US-5650538-A Organic salts of N,N'-diacetyl cystine ASTRA AKTIEBOLAG (SE) 1997-07-22 US disclosed
EP-0621862-B1 ORGANIC SALTS OF N, N'-DIACETYL CYSTINE ASTRA AB (SE) 1996-08-28 EP disclosed
US-5385904-A Organic salts of N,N'-diacetyl cystine AKTIEBOLAGET ASTRA (SE) 1995-01-31 US disclosed