SCHEMBL8763267

SCHEMBL8763267

CC(C)(NC=S)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8763925 0.79 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL1911380 0.77 HDAC3 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL11315438 0.76 KCNN4 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL471139 0.72 KCNN4 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL663244 0.70 KCNN4 (0.59) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL8763268 0.70 HSPA5 (0.30)
SCHEMBL11622569 0.69 ALDH1A1 (0.35) KCNN4MAPK1ALDH1A1TAAR1HDAC3
Bromide SCHEMBL5814172 0.69 KCNN4 (0.56) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL8178159 0.69 TAAR1 (0.46) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10933187 0.69 HDAC3 (0.50) KCNN4MAPK1ALDH1A1TAAR1ALOX15

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 7 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-5043372-A Light stabilizers for polyolefins; reacting hydrazine with bis(half ester-half amide) ATOCHEM NORTH AMERICA, INC. (US) 1991-08-27 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