SCHEMBL6681834

SCHEMBL6681834

NCc1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.69
KCNK9 Q9NPC2 5/20 0.69
KMT2A Q03164 5/20 0.66
SIRT1 Q96EB6 1/20 0.61
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 4/20 0.58
TP53 P04637 1/20 0.58
HPSE Q9Y251 1/20 0.57
CFD P00746 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL19964495 0.90 LOXL2 (0.62) KCNK3KCNK9KMT2ASIRT1RAB9A
Hydrochloric Acid SCHEMBL19953267 0.89 LOXL2 (0.62) KCNK3KCNK9KMT2ASIRT1RAB9A
SCHEMBL28956237 0.88 KMT2A (0.57) KCNK3KCNK9KMT2AMEN1HPSE
SCHEMBL1229626 0.86 MEN1 (0.71) KCNK3KCNK9KMT2ASIRT1RAB9A
SCHEMBL22542978 0.85 KCNK3 (0.71) KCNK3KCNK9KMT2ASIRT1RAB9A
SCHEMBL8902663 0.85 KCNK3 (0.71) KCNK3KCNK9KMT2ASIRT1RAB9A
SCHEMBL20473774 0.85 KCNK3 (0.71) KCNK3KCNK9KMT2ASIRT1RAB9A
SCHEMBL28200510 0.85 SIRT2 (0.57) SIRT1RAB9ANPC1HPSE
SCHEMBL13026980 0.85 KCNK3 (0.72) KCNK3KCNK9KMT2ARAB9ANPC1
SCHEMBL1857575 0.85 PTPN1 (0.65) KCNK3KCNK9KMT2ASIRT1RAB9A

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
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
CN-105669491-B A kind of acylation method of amine 苏州大学 2017-10-13 CN disclosed
CN-105669491-A Acidylation method of amine 苏州大学 2016-06-15 CN disclosed
CN-100335468-C Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2007-09-05 CN disclosed
CN-1712398-A Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2005-12-28 CN disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN disclosed