SCHEMBL23060053

SCHEMBL23060053

C=CC(=O)Nc1cc(NCCNCC(F)(F)F)ccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.41
JAK3 P52333 6/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.39
JAK2 O60674 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TGM2 P21980 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL23060180 0.91 GSTO1 (0.41) GSTO1JAK3LMNAALDH1A1JAK2
SCHEMBL21431003 0.85 GSTO1 (0.46) GSTO1JAK3LMNAALDH1A1JAK2
SCHEMBL23060271 0.82 KDM4E (0.38) LMNAALDH1A1SMN1; SMN2KMT2ATGM2
SCHEMBL28553497 0.78 KDM4E (0.42) LMNAALDH1A1SMN1; SMN2KMT2ATGM2
SCHEMBL23060172 0.78 TGM2 (0.34) LMNAALDH1A1SMN1; SMN2TGM2CA12
SCHEMBL23060201 0.77 GSTO1 (0.47) GSTO1JAK3LMNAALDH1A1SMN1; SMN2
SCHEMBL23044920 0.77 GSTO1 (0.44) GSTO1JAK3LMNAALDH1A1JAK2
SCHEMBL23044908 0.75 GSTO1 (0.43) GSTO1JAK3LMNAALDH1A1JAK2
SCHEMBL21430983 0.73 ALDH1A1 (0.50) GSTO1JAK3LMNAALDH1A1SMN1; SMN2
SCHEMBL23060058 0.71 EGFR (0.40) GSTO1JAK3LMNAALDH1A1KMT2A

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
WO-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed