SCHEMBL16796015

SCHEMBL16796015

O=C(c1ccccc1)c1ccccc1C#Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 1/20 0.42
CA1 P00915 2/20 0.42
GFER P55789 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL28788080 0.87 CA12 (0.55) CA12CA2CA9NPC1RAB9A
SCHEMBL29855934 0.85 NPC1 (0.66) CA12CA2CA9NPC1RAB9A
SCHEMBL4444737 0.85 NPC1 (0.66) CA12CA2CA9NPC1RAB9A
SCHEMBL16796021 0.84 NPC1 (0.53) NPC1RAB9AHPGDLMNAMAPT
SCHEMBL4300998 0.84 NPC1 (0.57) NPC1RAB9AHPGDLMNAMAPT
SCHEMBL14059469 0.82 CA12 (0.54) CA12CA2CA9NPC1RAB9A
SCHEMBL29429098 0.82 CA12 (0.54) CA12CA2CA9NPC1RAB9A
SCHEMBL4308501 0.82 NPC1 (0.44) CA12CA2CA9NPC1RAB9A
SCHEMBL28684394 0.82 CA12 (0.54) CA12CA2CA9NPC1RAB9A
SCHEMBL16796019 0.79 AKR1C3 (0.48) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080189-B1 POLYMERIC MATERIALS VICTREX MFG LTD (GB) 2020-02-12 EP disclosed
US-20160304667-A1 POLYMERIC MATERIALS VICTREX MANUFACTURING LIMITED (GB) 2016-10-20 US disclosed
EP-3080189-A1 POLYMERIC MATERIALS Victrex Manufacturing Limited (GB) 2016-10-19 EP disclosed
WO-2015087059-A1 POLYMERIC MATERIALS VICTREX MANUFACTURING LIMITED (GB) 2015-06-18 WO disclosed