SCHEMBL8033877

SCHEMBL8033877

CC(C)CCN(C(=O)CNC(=O)Nc1cccc(CS(=O)(=O)O)c1)c1ccccc1OCC(=O)N(C)c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 4/20 0.33
CCR3 P51677 1/20 0.32
BDKRB2 P30411 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ACKR3 P25106 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31

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
SCHEMBL8030021 0.91 KMT2A (0.35) MEN1GAAKMT2ACCR3SMN1; SMN2
SCHEMBL8030193 0.90 SMN1; SMN2 (0.33) MEN1GAAKMT2ACCR3BDKRB2
SCHEMBL8030140 0.89 CASR (0.34) CCR3BDKRB2CXCR1CXCR2
SCHEMBL27489407 0.89 CASR (0.33) CCR3BDKRB2CXCR1CXCR2
SCHEMBL8034072 0.88 BDKRB2 (0.40) BDKRB2SMN1; SMN2NR1H4CXCR1CXCR2
SCHEMBL8020616 0.87 CASR (0.42) MEN1KMT2ABDKRB2SMN1; SMN2
SCHEMBL8020575 0.86 CASR (0.35) MEN1GAAKMT2ACXCR1CXCR2
SCHEMBL8020116 0.86 KMT2A (0.36) MEN1GAAKMT2ACCR3SMN1; SMN2
SCHEMBL8030295 0.85 KMT2A (0.34) MEN1GAAKMT2ACCR3SMN1; SMN2
SCHEMBL8020566 0.84 MEN1 (0.34) MEN1GAAKMT2ACCR3BDKRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed