SCHEMBL142295

SCHEMBL142295

C#Cc1ccc(N=Nc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.62
CCNT1 O60563 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
KEAP1 Q14145 1/20 0.36
PLG P00747 1/20 0.35
TRPA1 O75762 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL142294 1.00 HDAC8 (0.62) HDAC8CCNT1CDK1CDK4CCNB1
SCHEMBL137428 0.86 HDAC8 (0.43) HDAC8KEAP1CA12CA1CA2
SCHEMBL137429 0.86 HDAC8 (0.43) HDAC8KEAP1CA12CA1CA2
SCHEMBL139430 0.78
SCHEMBL139295 0.78 CCNT1 (0.50) HDAC8CCNT1CDK1CDK4CCNB1
SCHEMBL106526 0.78 CCNT1 (0.50) HDAC8CCNT1CDK1CDK4CCNB1
SCHEMBL9861869 0.77 ALDH1A1 (0.57) HDAC8TRPA1MAPTMEN1NPC1
SCHEMBL9861852 0.77 ALDH1A1 (0.57) HDAC8TRPA1MAPTMEN1NPC1
Hydrochloric Acid SCHEMBL1190733 0.76
SCHEMBL14123783 0.76 NPC1 (0.45) HDAC8CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433131-B1 Particles for long wavelength SERS, method of manufacture and method for tagging a material SICPA HOLDING SA (CH) 2016-07-06 EP claimed
US-9239327-B2 Particles comprising hollow surface-enhanced spectroscopy (SES)-active core for long wavelength SERS SICPA HOLDING SA (CH) 2016-01-19 US claimed
EP-2433131-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120057165-A1 Particles and Methods for Long Wavelength SERS CABOT SECURITY MATERIALS INC. (US) 2012-03-08 US claimed
WO-2010135354-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
EP-2433131-B1 Particles for long wavelength SERS, method of manufacture and method for tagging a material SICPA HOLDING SA (CH) 2016-07-06 EP disclosed
US-9239327-B2 Particles comprising hollow surface-enhanced spectroscopy (SES)-active core for long wavelength SERS SICPA HOLDING SA (CH) 2016-01-19 US disclosed
EP-2433131-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS Cabot Security Materials Inc. (US) 2012-03-28 EP disclosed
US-20120057165-A1 Particles and Methods for Long Wavelength SERS CABOT SECURITY MATERIALS INC. (US) 2012-03-08 US disclosed
WO-2010135354-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS OXONICA MATERIALS INC. (US) 2010-11-25 WO disclosed