SCHEMBL8983532

SCHEMBL8983532

N#CNC(=S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
KIF11 P52732 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
DHODH Q02127 2/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6979193 0.98 CDK1 (0.54) CDK1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL9453957 0.83 CDK1 (0.68) CDK1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL8983504 0.81 MAPT (0.69) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8983416 0.80 GAA (0.58) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL6986158 0.80 MAPT (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL6986153 0.80 MAPT (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2973297 0.77 MAPT (0.58) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL7639228 0.77 IDO1 (0.68) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8987945 0.77 KMT2A (0.56) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8914513 0.77 EPHX1 (0.51) KMT2ASMN1; SMN2LMNAALDH1A1GAA

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-0501797-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-06-05 EP disclosed
EP-0501797-A1 Pyranyl cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1992-09-02 EP disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US disclosed