SCHEMBL7574843

SCHEMBL7574843

O=CNN(NC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2A6 P11509 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
ALOX12 P18054 1/20 0.32
RUNX1 Q01196 1/20 0.32

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
SCHEMBL1833672 0.80 ALDH1A1 (0.42) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL6542102 0.76 HTT (0.43) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL10535478 0.70 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2AHSP90AA1
SCHEMBL6503492 0.65 ADH1B (0.48) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL43388 0.65 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6MEN1
SCHEMBL7978097 0.65 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6MEN1
SCHEMBL5516786 0.65 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6MEN1
SCHEMBL609177 0.65 L3MBTL1 (0.43) ALDH1A1NPSR1ALOX15MEN1KMT2A
SCHEMBL8846720 0.65 ALDH1A1 (0.37) ALDH1A1NPSR1ALOX15CYP2A6MEN1
SCHEMBL7540829 0.64 NPSR1 (0.52) ALDH1A1NPSR1MEN1KMT2AHTT

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-0873989-B1 Process for the preparation of distyryl-biphenyl compounds CIBA SC HOLDING AG (CH) 2002-03-20 EP claimed
US-6031126-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-29 US claimed
US-5952524-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-14 US claimed
EP-0873989-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP claimed
EP-0873988-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP claimed
EP-0873989-B1 Process for the preparation of distyryl-biphenyl compounds CIBA SC HOLDING AG (CH) 2002-03-20 EP disclosed
EP-0849244-B1 Process for the preparation of distyryl-biphenylic compounds CIBA SC HOLDING AG (CH) 2001-06-20 EP disclosed
US-6031126-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-29 US disclosed
US-5969204-A Process for the production of distyryl-biphenyl compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-19 US disclosed
US-5952524-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-14 US disclosed
EP-0873988-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP disclosed
EP-0873989-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP disclosed
EP-0849244-A1 Process for the preparation of distyryl-biphenylic compounds Ciba SC Holding AG (CH) 1998-06-24 EP disclosed