SCHEMBL8764144

SCHEMBL8764144

CC(Cc1ccc(CC(C)NC=S)cc1)NC=S

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
SLC18A2 Q05940 1/20 0.43
SLC6A4 P31645 8/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL8763361 0.90 TAAR1 (0.67) TAAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8764139 0.78 TAAR1 (0.44) TAAR1MEN1KMT2ACYP2D6SIGMAR1
SCHEMBL8763948 0.77 TAAR1 (0.81) TAAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL12280099 0.70 KMT2A (0.68) TAAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11960198 0.70 MEN1 (0.68) TAAR1MEN1KMT2ACYP1A2CYP2D6
Formetorex SCHEMBL1812509 0.68 TAAR1 (1.00) TAAR1MEN1KMT2ACYP1A2CYP2D6
Formetorex SCHEMBL2780459 0.68 TAAR1 (1.00) TAAR1MEN1KMT2ACYP1A2CYP2D6
Formetorex SCHEMBL14944822 0.68 TAAR1 (1.00) TAAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10656220 0.68 PTGS1 (0.42) MEN1KMT2APMP22
SCHEMBL8210175 0.67 MEN1 (0.64) TAAR1MEN1KMT2ACYP1A2CYP2D6

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