SCHEMBL8764041

SCHEMBL8764041

N#CSCc1ccccc1Cc1ccccc1CSC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HSPA5 P11021 1/20 0.37
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8764187 0.93 CYP1A2 (0.42) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL19773800 0.82 MGLL (0.39) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL11436855 0.82 PNMT (0.41) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL19801292 0.82 CYP1A1 (0.35) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL8762345 0.80 HTR2A (0.35) CYP1A2CYP1A1CYP1B1HSPA5ALDH1A1
SCHEMBL6244378 0.77 SMN1; SMN2 (0.47) CYP1A2ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL20738269 0.77 CYP1A1 (0.45) CYP1A2CYP1A1CYP1B1ALDH1A1HPGD
SCHEMBL20738327 0.77 L3MBTL1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTHTT
SCHEMBL2935836 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL29704539 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1HPGDSMN1; SMN2MAPT

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