SCHEMBL8501483

SCHEMBL8501483

CC(C)c1cccc(C(C)C)c1N=C=O.CCO/N=C(/C)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.36
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA9 Q16790 4/20 0.36
NOS1 P29475 1/20 0.34
PPARG P37231 8/20 0.34
PPARA Q07869 7/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CCR1 P32246 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL8501486 1.00 CA2 (0.36) CA2CA12CA1CA9NOS1
SCHEMBL7142681 0.84 NOS1 (0.47) CA2CA12CA1CA9NOS1
SCHEMBL7142686 0.84 NOS1 (0.47) CA2CA12CA1CA9NOS1
SCHEMBL7646878 0.83 ALDH1A1 (0.37) SMN1; SMN2LMNAGAA
SCHEMBL7142167 0.72 NLRP3 (0.60)
SCHEMBL7142164 0.72 NLRP3 (0.60)
SCHEMBL7145050 0.70 PPARG (0.54) CA2CA12CA1CA9PPARG
SCHEMBL7145051 0.70 PPARG (0.54) CA2CA12CA1CA9PPARG
SCHEMBL7145093 0.70 NOS1 (0.50) CA2CA12CA1CA9NOS1
SCHEMBL7145090 0.70 NOS1 (0.50) CA2CA12CA1CA9NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964849-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1999-12-22 EP disclosed
WO-1998032733-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1998-07-30 WO disclosed