SCHEMBL5956898

SCHEMBL5956898

O=C(O)c1cc2c(cc1Cl)[C@H](O)CCS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL5956824 0.83 MEN1 (0.38) CA2ALDH1A1CASP1SMN1; SMN2KMT2A
SCHEMBL5956637 0.83 MEN1 (0.38) CA2ALDH1A1CASP1SMN1; SMN2KMT2A
SCHEMBL5956617 0.73 NFKB1 (0.37) CA2CA12CA1CA9KMT2A
SCHEMBL5956623 0.73 NFKB1 (0.37) CA2CA12CA1CA9KMT2A
SCHEMBL5956620 0.70 ALDH1A1 (0.44) ALDH1A1TSHRLMNACTSBGAA
SCHEMBL5956616 0.70 ALDH1A1 (0.44) ALDH1A1TSHRLMNACTSBGAA
SCHEMBL5956849 0.70 KMT2A (0.41) CA2ALDH1A1CASP1KMT2AMEN1
SCHEMBL5956628 0.68 KMT2A (0.38) ALDH1A1CASP1SMN1; SMN2KMT2AMEN1
SCHEMBL5956889 0.68 KMT2A (0.38) ALDH1A1CASP1SMN1; SMN2KMT2AMEN1
SCHEMBL9698398 0.67 ALDH1A1 (0.48) CA2ALDH1A1TP53TSHRCASP1

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-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed