SCHEMBL7142114

SCHEMBL7142114

CC(C)c1cc(-c2cccs2)cc(C(C)C)c1N=C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC3 O15379 3/20 0.36
KCNH2 Q12809 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
PPARG P37231 1/20 0.35
RXRG P48443 1/20 0.35
ERN1 O75460 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PTPN1 P18031 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 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
SCHEMBL221941 0.79 CA1 (0.43) GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL7167416 0.76 GABRA1 (0.38) GABRA1GABRB2LMNAKMT2ACYP3A4
SCHEMBL7144769 0.75 DRD2 (0.36) KCNH2ERN1CYP2E1CYP2A6CYP2B6
SCHEMBL191769 0.71 GABRA1 (0.50) SMN1; SMN2GABRA1GABRB2LMNAKMT2A
SCHEMBL661595 0.70 CYP3A4 (0.37) GABRA1GABRB2ALDH1A1MAPK1CYP3A4
SCHEMBL16779903 0.70 GABRA1 (0.35) GABRA1GABRB2LMNACYP3A4
SCHEMBL3675026 0.70 FABP4 (0.44) GABRA1GABRB2ALDH1A1
SCHEMBL7145360 0.70 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL1019041 0.69 LTA4H (0.47) HDAC2KCNH2PPARGERN1FFAR1
SCHEMBL24246078 0.69 KCNH2 (0.44) HDAC1HDAC2HDAC3KCNH2ERN1

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-0964849-B1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
EP-1270554-A1 Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC. (US) 2003-01-02 EP disclosed
EP-1270565-A1 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives PFIZER INC. (US) 2003-01-02 EP disclosed
US-6433009-B1 TREATMENT OF AUTOIMMUNE, CARDIOVASCULAR, NERVOUS SYSTEM, GASTROINTESTINAL, RESPIRATORY SYSTEM, AND VIRAL DISORDERS; ANTIDIABETIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANTIDEPRESSANT AGENTS PFIZER INC 2002-08-13 US disclosed
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed
US-6166064-A Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC (US) 2000-12-26 US disclosed