SCHEMBL8472833

SCHEMBL8472833

O=C1CCSc2cccc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.46
ELOC Q15369 1/20 0.46
ELOB Q15370 1/20 0.46
DYRK1A Q13627 1/20 0.37
RET P07949 1/20 0.36
GRK5 P34947 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 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
SCHEMBL9404887 0.78 VHL (0.39) VHLELOCELOBDYRK1AHTT
SCHEMBL23861131 0.78 MAOA (0.44) VHLELOCELOBHTTKDM4E
SCHEMBL8822554 0.78 VHL (0.39) VHLELOCELOBDYRK1ADYRK1B
SCHEMBL2156971 0.78 KDM4E (0.39) VHLELOCELOBHTTKDM4E
SCHEMBL10364109 0.76 VHL (0.51) VHLELOCELOBHTTKDM4E
SCHEMBL30880421 0.74 ALDH1A1 (0.40) VHLELOCELOBHTTKDM4E
SCHEMBL29515304 0.74 ALDH1A1 (0.53) VHLELOCELOBHTTKDM4E
SCHEMBL30880435 0.74 ALDH1A1 (0.40) VHLELOCELOBHTTKDM4E
SCHEMBL23861125 0.74 ALDH1A1 (0.53) VHLELOCELOBHTTKDM4E
SCHEMBL8346491 0.73 VHL (0.41) VHLELOCELOBHTTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed