SCHEMBL8548842

SCHEMBL8548842

CCOC(=O)c1cc(F)c2c(c1C)/C(=N/OC)CCS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
CTSL P07711 1/20 0.31
MAPK1 P28482 2/20 0.31
UBE2N P61088 1/20 0.31
WDR5 P61964 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8548844 1.00 KDM4E (0.39) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8549755 0.86 CTSL (0.33) KMT2ACTSLALDH1A1
SCHEMBL8549760 0.86 CTSL (0.33) KMT2ACTSLALDH1A1
SCHEMBL8544492 0.79 POLB (0.39) KDM4EPOLBL3MBTL1MEN1KMT2A
SCHEMBL8544493 0.79 POLB (0.39) KDM4EPOLBL3MBTL1MEN1KMT2A
SCHEMBL8546672 0.78 TP53 (0.32)
SCHEMBL8546668 0.78 TP53 (0.32)
SCHEMBL8549710 0.77 KDM4E (0.40) KDM4EMEN1KMT2APPARGNPC1
SCHEMBL8549713 0.77 KDM4E (0.40) KDM4EMEN1KMT2APPARGNPC1
SCHEMBL8549360 0.76 SPR (0.31)

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-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed