SCHEMBL4626263

SCHEMBL4626263

Cn1nc(O)c(C#N)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
NCOA1 Q15788 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.33
FEN1 P39748 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
SCHEMBL13683109 0.79 POLB (0.46) LMNAKMT2ACYP11B2L3MBTL1MAPT
SCHEMBL3157358 0.72
SCHEMBL10473359 0.72
SCHEMBL739581 0.71 MEN1 (0.34) KMT2AMAPTSMN1; SMN2
SCHEMBL10472357 0.71
SCHEMBL10473360 0.71 GAA (0.31)
SCHEMBL4625127 0.70 LMNA (0.54) LMNAKMT2AL3MBTL1MAPTHTT
SCHEMBL28724752 0.70 KDM4E (0.44) KMT2AL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL14996593 0.68 CYP11B2 (0.37) LMNAKMT2ACYP11B2L3MBTL1MAPT
SCHEMBL12859231 0.66 CYP11B2 (0.36) LMNAKMT2ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067121-B1 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
EP-1067121-B1 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
US-6235911-B1 5-aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS, INC. (JP) 2001-05-22 US disclosed
EP-1067121-A2 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same Mitsui Chemicals, Inc. (JP) 2001-01-10 EP disclosed