SCHEMBL8729253

SCHEMBL8729253

O=C(S)Cc1ccc(C(F)(F)F)cn1.O=C(S)Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.42
SORT1 Q99523 1/20 0.38
VNN1 O95497 2/20 0.38
GSK3B P49841 1/20 0.38
KDR P35968 4/20 0.37
FLT1 P17948 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
FFAR2 O15552 1/20 0.37
DAO P14920 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
KIF11 P52732 1/20 0.37
NR3C2 P08235 1/20 0.36
PIK3CA P42336 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6795839 0.89 KMT2A (0.53) KMT2ADAOALDH1A1LMNARAB9A
SCHEMBL8729255 0.80 KMT2A (0.38) KMT2ANAMPTSORT1VNN1GSK3B
SCHEMBL1574186 0.75 CYP19A1 (0.50) ALDH1A1RAB9AHDAC1SMN1; SMN2
SCHEMBL19555418 0.75 KMT2A (0.54) KMT2ADAOALDH1A1LMNARAB9A
Hydrochloric Acid SCHEMBL6012017 0.73 KMT2A (0.53) KMT2ADAOALDH1A1LMNARAB9A
SCHEMBL2309516 0.73 KMT2A (0.62) KMT2ADAOALDH1A1LMNARAB9A
SCHEMBL26046022 0.73 KMT2A (0.53) KMT2ADAOALDH1A1LMNARAB9A
SCHEMBL23775038 0.71 RAB9A (0.46) NAMPTSORT1VNN1GSK3BKDR
SCHEMBL6282286 0.70 PTPN1 (0.56) NAMPTSORT1GSK3BHIF1AEPAS1
SCHEMBL6795841 0.68 KMT2A (0.46) KMT2ADAOALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed