SCHEMBL143403

SCHEMBL143403

C#Cc1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.62
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL143402 1.00 HDAC8 (0.62) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5892551 0.86 HDAC8 (0.43) HDAC8NPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL6005617 0.86 HDAC8 (0.43) HDAC8NPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL5892375 0.86 HDAC8 (0.43) HDAC8NPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL6005614 0.86 HDAC8 (0.43) HDAC8NPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL9966009 0.81 MAPT (0.65) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL135604 0.81 MAPT (0.65) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL5572568 0.78 NPC1 (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL5572572 0.78 NPC1 (0.48) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL19052376 0.78 TTK (0.54) NPC1MAPTRAB9ASMN1; SMN2HPGD

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 5 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 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