SCHEMBL8763290

SCHEMBL8763290

O=CNc1ccccc1NC=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.56
PABPC1 P11940 1/20 0.48
KDM5A P29375 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 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
SCHEMBL30527294 1.00 ALDH1A1 (0.57) ALDH1A1TSHRPABPC1KDM5AADH1B
SCHEMBL20862121 0.87 TSHR (0.47) ALDH1A1TSHRPABPC1KDM5AMEN1
Hydrochloric Acid SCHEMBL27925663 0.85 TSHR (0.46) ALDH1A1TSHRPABPC1KDM5AADH1B
SCHEMBL6750672 0.84 TSHR (0.48) ALDH1A1TSHRPABPC1KDM5AADH1B
SCHEMBL1939410 0.82 GAA (0.50) ALDH1A1TSHRPABPC1KDM5AMEN1
SCHEMBL4457777 0.82 TSHR (0.47) ALDH1A1TSHRPABPC1KDM5AADH1B
SCHEMBL227131 0.82 TSHR (0.47) ALDH1A1TSHRPABPC1MEN1KMT2A
SCHEMBL1703166 0.82 TSHR (0.47) ALDH1A1TSHRPABPC1KDM5AADH1B
SCHEMBL1331721 0.82 LMNA (0.55) ALDH1A1TSHRPABPC1KDM5AMEN1
SCHEMBL10562957 0.82 TSHR (0.47) ALDH1A1TSHRPABPC1KDM5AADH1B

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