SCHEMBL9518977

SCHEMBL9518977

Cn1nc(C(F)(F)F)c(C#N)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 6/20 0.47
MAPT P10636 4/20 0.47
NCOA1 Q15788 3/20 0.47
NCOA3 Q9Y6Q9 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.37
XBP1 P17861 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 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
SCHEMBL2743086 0.83 LMNA (0.37) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL13184169 0.79 LMNA (0.55) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL11543788 0.78 LMNA (0.41) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL6744945 0.78 LMNA (0.58) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL4625127 0.78 LMNA (0.54) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL16402642 0.75 LMNA (0.51) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL1821874 0.72 TSHR (0.47) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL11698200 0.72 KMT2A (0.41) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL28399750 0.72 POLB (0.51) LMNAKMT2AL3MBTL1HTTMAPT
SCHEMBL15942159 0.72 POLB (0.51) LMNAKMT2AL3MBTL1MAPTALDH1A1

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-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP claimed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO claimed
EP-3046156-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT Konica Minolta Holdings, Inc. (JP) 2016-07-20 EP disclosed