SCHEMBL3943563

SCHEMBL3943563

CC1CCN(c2nc(S(C)(=O)=O)nc(Cl)c2C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP7 P55210 2/20 0.36
BRCA1 P38398 1/20 0.36
TSHR P16473 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
PKM P14618 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
LIPE Q05469 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4192247 0.88 TRPV1 (0.34) POLBSMN1; SMN2TDP1CASP7BRCA1
SCHEMBL3944735 0.76 HTR2A (0.39) POLBSMN1; SMN2TDP1TSHRKMT2A
SCHEMBL5525205 0.75 NPSR1 (0.44) POLBSMN1; SMN2CASP7BRCA1TSHR
SCHEMBL3942636 0.75 ALDH1A1 (0.38) POLBSMN1; SMN2TDP1CASP7BRCA1
SCHEMBL5474300 0.72 TSHR (0.41) POLBSMN1; SMN2CASP7BRCA1TSHR
SCHEMBL3944909 0.72 AKR1C3 (0.36) POLBSMN1; SMN2TDP1TSHRKMT2A
SCHEMBL3951275 0.69 PDE4A (0.37) POLBSMN1; SMN2TDP1TSHRKMT2A
SCHEMBL3946661 0.69 KMT2A (0.33) POLBSMN1; SMN2TDP1TSHRKMT2A
SCHEMBL4162479 0.63 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HTT
SCHEMBL20302390 0.62 CHRM4 (0.52) SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019099-A1 TETRASUBSTITUTED PYRIMIDINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2009-02-12 WO disclosed