SCHEMBL5208096

SCHEMBL5208096

CS(=O)(=O)c1cccc(N(CC(=O)O)C(=O)c2cccc(CN)c2)c1.NC(=O)C1NC2C=CC=CC2S1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL5628892 0.89 ADRA2C (0.35) KMT2AGAA
SCHEMBL5205927 0.81 LOXL2 (0.34) KMT2A
SCHEMBL6998943 0.80 OPRM1 (0.33) KMT2A
Trifluoroacetic Acid SCHEMBL5209569 0.77 F2 (0.31)
SCHEMBL5204891 0.75 KMT2A (0.33) KMT2AALDH1A1MEN1POLB
SCHEMBL5209352 0.72 F2 (0.34) KMT2AMEN1POLB
SCHEMBL5210877 0.70 ADRA2C (0.52) KMT2AGAAMEN1
Trifluoroacetic Acid SCHEMBL5209705 0.69 F2 (0.33)
SCHEMBL5209456 0.69 CNR2 (0.42) KMT2AALDH1A1GAAHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL5206988 0.68 FOLH1 (0.35) GRM2GRM3

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-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed