SCHEMBL8763190

SCHEMBL8763190

S=CNc1ccc(Cc2ccc(NC=S)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL6921699 0.91 CALM1 (0.50) ALDH1A1LMNACALM1CA1CA2
SCHEMBL8764231 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10467228 0.81 HPGD (0.42) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL6434819 0.75 ALDH1A1 (0.54) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL3483051 0.72 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL3083947 0.72 CA1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL10465842 0.72 CA1 (0.43) FAAHMGLLCA1CA2
SCHEMBL10466208 0.72 MAPT (0.48) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL3090718 0.72 CA1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL3079091 0.72 MAPT (0.44) ALDH1A1LMNAHPGDHTTSMN1; SMN2

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