SCHEMBL8664475

SCHEMBL8664475

C=CCc1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTPN1 P18031 3/20 0.33
SLC9A1 P19634 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8666430 0.86 SLC9A1 (0.32) ALDH1A1LMNAKMT2ASMN1; SMN2SLC9A1
SCHEMBL8666392 0.84 SLC9A1 (0.35) SLC9A1SLC9A2THRATHRB
SCHEMBL8666395 0.84 SLC9A1 (0.35) SLC9A1SLC9A2THRATHRB
SCHEMBL8665023 0.83 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8665020 0.83 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8664961 0.81 THRA (0.32) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8664964 0.81 THRA (0.32) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL7798561 0.80 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL10386884 0.79 HTT (0.40) POLBELANEALDH1A1LMNAHPGD
SCHEMBL8665308 0.78 SLC9A1 (0.38) POLBSLC9A1

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
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed