SCHEMBL9533589

SCHEMBL9533589

CCC(=O)C(=O)C1Cc2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 7/20 0.49
METAP1 P53582 4/20 0.45
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2919195 0.81 MAPT (0.51) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL856747 0.78 ACHE (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL490810 0.77 MAPT (0.70) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL31460799 0.77 MAPT (0.70) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL6117550 0.77 MEN1 (0.48) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL3948845 0.76 MAPT (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL30702212 0.76 MAPT (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL5311960 0.75 KMT2A (0.55) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL8319737 0.75 ACHE (0.45) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL8112023 0.75 KDM4E (0.34) KDM4EMAPTMEN1KMT2AALDH1A1

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-0347773-B1 CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-04-28 EP disclosed
EP-0422051-A1 CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-04-17 EP disclosed
WO-1989012630-A1 CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed
EP-0347773-A1 Condensed Pyrazole 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1989-12-27 EP disclosed