SCHEMBL6852273

SCHEMBL6852273

CCCS(=O)(=O)c1ccc(C([NH])=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 6/20 0.43
PAX8 Q06710 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RORC P51449 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL9067141 0.86 PSIP1 (0.50) ALDH1A1KMT2APAX8LMNAGAA
SCHEMBL20796169 0.83 ALDH1A1 (0.52) ALDH1A1THRATHRBKMT2APAX8
SCHEMBL1018690 0.83 CA12 (0.57) ALDH1A1THRATHRBKMT2ACYP2C19
SCHEMBL2027641 0.81 CA2 (0.55) ALDH1A1THRATHRBKMT2APAX8
SCHEMBL16225260 0.81 THRA (0.52) ALDH1A1THRATHRBKMT2APAX8
SCHEMBL8174782 0.80 PRSS1 (0.50) ALDH1A1THRATHRBCYP3A4CYP2C9
SCHEMBL11101781 0.77 KMT2A (0.57) ALDH1A1KMT2AMEN1GAANPSR1
SCHEMBL6852673 0.76 ALDH1A1 (0.59) ALDH1A1KMT2ACYP2C9HTTLMNA
SCHEMBL10619867 0.76 ALDH1A1 (0.47) ALDH1A1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2646220 0.76 CA2 (0.53) ALDH1A1KMT2APAX8CYP3A4CYP2C9

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
EP-0661289-B1 Vinyl carboxamide derivatives as insecticides and acaricides SYNGENTA PARTICIPATIONS AG (CH) 2004-03-03 EP claimed