SCHEMBL6625939

SCHEMBL6625939

CCC(C)N1CCc2c(CN3CCOCC3)nc3c(C#N)cnn3c21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.38
CDK2 P24941 1/20 0.36
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CSNK2A1 P68400 2/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.33
CSNK2A2 P19784 3/20 0.33
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6626427 0.89 KDM4E (0.45) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6625170 0.88 KDM4E (0.44) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6626096 0.85 HTT (0.52) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6628654 0.84 KDM4E (0.48) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6625974 0.84 KDM4E (0.53) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6623409 0.83 KDM4E (0.49) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL8177257 0.83 ALDH1A1 (0.34) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6625383 0.82 KDM4E (0.48) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6624980 0.82 KDM4E (0.46) KDM4ESMN1; SMN2HTTKMT2AGAA
SCHEMBL6624829 0.82 KDM4E (0.53) KDM4ESMN1; SMN2HTTKMT2AGAA

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-0976754-B1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEM IND INC (JP) 2004-07-14 EP disclosed
US-6329382-B1 TREATMENT OF RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-0976754-A1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-02-02 EP disclosed