SCHEMBL8642191

SCHEMBL8642191

CN(C)CCCOC(=O)c1ccccc1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.73
▸ TSHR P16473 4/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SCN1A P35498 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ SCN3A Q9NY46 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL8641123 0.95 TDP1 (0.71) TDP1TSHRL3MBTL1GAAMAPK1
Trifluoroacetic Acid SCHEMBL27989854 0.91 TDP1 (0.60) TDP1TSHRL3MBTL1GAAMAPK1
SCHEMBL8637116 0.90 TDP1 (0.67) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL8637734 0.85 SCN1A (0.69) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL9765812 0.85 TDP1 (0.92) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL12083356 0.85 TDP1 (1.00) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL29408707 0.83 TDP1 (0.89) TDP1TSHRL3MBTL1MAPK1TP53
Ammonia Solution, Strong SCHEMBL11053275 0.83 TDP1 (0.96) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL15397549 0.83 TDP1 (0.89) TDP1TSHRL3MBTL1MAPK1TP53
SCHEMBL6414201 0.83 TDP1 (0.61) TDP1TSHRL3MBTL1MAPK1TP53

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
CN-104168958-B Diaryl sulfonamides useful for the treatment of inflammation and cancer 坎塞拉有限公司 2017-12-01 — — CN claimed
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 — — US claimed
CN-104168958-B Diaryl sulfonamides useful for the treatment of inflammation and cancer 坎塞拉有限公司 2017-12-01 — — CN disclosed
US-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 — — US disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 — — US disclosed
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 — — US disclosed
EP-0031632-A1 O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-07-08 — — EP disclosed
Send feedback