SCHEMBL9545795

SCHEMBL9545795

C=CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(C)S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
PRKD3 O94806 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK1 P51617 1/20 0.33
RPS6KA3 P51812 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM3 Q86V86 1/20 0.33
CSNK1G3 Q9Y6M4 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL1699779 0.87 LMNA (0.47) KMT2ALMNAKDM4EHPGDPRKD3
SCHEMBL3004295 0.79 LMNA (0.56) KMT2ALMNAKDM4ESMN1; SMN2HPGD
SCHEMBL13208152 0.79 LMNA (0.46) KMT2ALMNASMN1; SMN2PRKD3PIM1
SCHEMBL9523341 0.77 LMNA (0.43) KMT2ALMNAKDM4EHPGDPRKD3
SCHEMBL9568344 0.75 ALDH1A1 (0.43) KMT2ALMNAKDM4ESMN1; SMN2HPGD
SCHEMBL9568297 0.75 KDM4E (0.45) KMT2ALMNAKDM4ESMN1; SMN2HPGD
SCHEMBL8320413 0.75 LMNA (0.41) KMT2ALMNAPRKD3PIM1GSK3A
SCHEMBL12836206 0.74 KMT2A (0.39) KMT2ALMNAKDM4ESMN1; SMN2HPGD
SCHEMBL9568806 0.74 LMNA (0.41) KMT2ALMNAKDM4ESMN1; SMN2HPGD
SCHEMBL9229273 0.74 KMT2A (0.44) KMT2ALMNAKDM4EHPGDHSD17B10

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-1993025532-A1 CARBOXYLIC ACID DERIVATIVE AND PRODUCTION THEREOF NIPPON SHINYAKU CO., LTD. (JP) 1993-12-23 WO disclosed