SCHEMBL8763261

SCHEMBL8763261

S=CNCCc1ccc(CCNC=S)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.38
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
IDO1 P14902 2/20 0.36
LMNA P02545 5/20 0.36
ATM Q13315 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL10434108 0.89 LPL (0.41) TAAR1SIGMAR1TMEM97NPC1RAB9A
SCHEMBL12614249 0.89 TAAR1 (0.55) TAAR1SMN1; SMN2NPC1RAB9AIDO1
SCHEMBL7963483 0.88 NPC1 (0.52) TAAR1SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL8763139 0.84 ESRRG (0.41) TAAR1NPC1RAB9ACYP3A4TSHR
SCHEMBL8764000 0.76
SCHEMBL8763253 0.75 TAAR1 (0.38) TAAR1SMN1; SMN2NPC1RAB9ACA12
SCHEMBL8916941 0.75 SIGMAR1 (0.59) SIGMAR1L3MBTL1
SCHEMBL23616766 0.74 TAAR1 (0.52) TAAR1NPC1RAB9AIDO1LMNA
SCHEMBL12614483 0.74 TAAR1 (0.61) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1270018 0.73 SIGMAR1 (0.59) SIGMAR1L3MBTL1

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 6 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
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed