SCHEMBL8764256

SCHEMBL8764256

S=CNCc1ccccc1CNC=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
CA12 O43570 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 5/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
LMNA P02545 1/20 0.30
MPO P05164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8764234 0.93 HSPA5 (0.36) TSHRCYP2D6HIF1AADH1BADH1C
SCHEMBL12614635 0.84 NPC1 (0.50) CYP2D6KMT2ALMNANPC1RAB9A
SCHEMBL8764043 0.84 CHRM2 (0.48) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL10465513 0.81 CA2 (0.50) CYP2D6CA2KMT2ALMNAHPGD
SCHEMBL2854951 0.77 ADH1B (0.60) ADH1BADH1CADH1AADH7CA12
SCHEMBL6008068 0.75 MAPT (0.42) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL8763253 0.75 TAAR1 (0.38) CA12CA2CA9SLC6A4MPO
SCHEMBL6851954 0.74 IGF1R (0.39) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8763191 0.74 ADH1B (0.62) TSHRCYP2D6HIF1AADH1BADH1C
SCHEMBL30595834 0.74 ADH1B (0.62) TSHRCYP2D6HIF1AADH1BADH1C

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-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed