SCHEMBL8113306

SCHEMBL8113306

CCOC(=O)c1c(-c2ccc(F)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
PRKCZ Q05513 1/20 0.42
SLC34A1 Q06495 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GRM6 O15303 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8114850 0.90 HRH2 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL8113217 0.89 MAPT (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL8108274 0.88 KIF11 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL8099495 0.87 MAPT (0.45) ALDH1A1KDM4EKMT2AHRH2HRH1
SCHEMBL8099596 0.84 NPEPPS (0.39) ALDH1A1KDM4EHPGDKMT2ASLC34A1
SCHEMBL8108969 0.81 TSHR (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL680328 0.78 KMT2A (0.50) ALDH1A1KDM4EKMT2AGABRA2GABRB2
SCHEMBL1258186 0.76 KMT2A (0.46) ALDH1A1KDM4EHPGDKMT2APRKCZ
SCHEMBL680214 0.74 KMT2A (0.44) ALDH1A1KDM4EHPGDKMT2APRKCZ
SCHEMBL19639808 0.72 SLC34A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed