SCHEMBL6625311

SCHEMBL6625311

CCC(C)N1CCc2c(NC(=O)NC)nc3c(C#N)cnn3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
CDK2 P24941 1/20 0.37
GAA P10253 1/20 0.36
CSNK2A1 P68400 8/20 0.33
CSNK2A2 P19784 2/20 0.33
HIPK1 Q86Z02 1/20 0.33
DYRK2 Q92630 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
HIPK3 Q9H422 1/20 0.33
STK17A Q9UEE5 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
BCL6 P41182 2/20 0.33
NPC1 O15118 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
SCHEMBL6624859 0.90 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6624851 0.89 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6627085 0.89 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6628338 0.87 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6628190 0.85 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6626414 0.85 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6626852 0.85 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL8177275 0.84 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6624845 0.84 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6625302 0.82 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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