SCHEMBL7469942

SCHEMBL7469942

CCOC(=O)c1c(C(F)(F)F)n[nH]c1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ SLC34A1 Q06495 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LMNA P02545 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
SCHEMBL28346436 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPK10KDM4EMAPT
SCHEMBL7460449 0.75 PDE4D (0.52) SMN1; SMN2HTTMAPK10SLC34A1KDM4E
SCHEMBL20471481 0.73 KDM4E (0.74) SMN1; SMN2MAPK10KDM4EMAPTKMT2A
SCHEMBL7456165 0.73 KDM4E (0.44) SMN1; SMN2HTTMAPK10SLC34A1KDM4E
SCHEMBL8345836 0.73 MAPT (0.58) KDM4EMAPTKMT2AP2RY12FNTA
SCHEMBL14705880 0.72 ELANE (0.46) SMN1; SMN2HTTMAPK10SLC34A1KDM4E
SCHEMBL28724765 0.72 KIF11 (0.46) —
SCHEMBL7455310 0.71 FNTA (0.44) SMN1; SMN2HTTMAPK10SLC34A1KDM4E
SCHEMBL10313817 0.71 SLC34A1 (0.42) SLC34A1KDM4EMAPTKMT2AALDH1A1
SCHEMBL5093044 0.71 P2RY12 (0.40) SMN1; SMN2HTTSLC34A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 — — EP disclosed
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