SCHEMBL6623302

SCHEMBL6623302

CCC(C)N1CCc2cnc3c(C#N)cnn3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 8/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4D Q6B0I6 1/20 0.38
CDK2 P24941 1/20 0.37
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HPGD P15428 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CSNK2A1 P68400 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6625277 0.89 KDM4E (0.45) KDM4ESMN1; SMN2HTTPOLBRECQL
SCHEMBL6622646 0.87 KDM4E (0.44) KDM4ESMN1; SMN2HTTPOLBRECQL
SCHEMBL9876869 0.81 KDM4E (0.62) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL6624817 0.79 KDM4E (0.49) KDM4ESMN1; SMN2HTTPOLBRECQL
SCHEMBL6626868 0.79 KDM4E (0.49) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL8177307 0.78 ALDH1A1 (0.42) POLBALDH1A1NPC1RAB9A
SCHEMBL6624998 0.77 KDM4E (0.41) KDM4ESMN1; SMN2HTTPOLBRECQL
SCHEMBL6622385 0.77 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL6628338 0.77 KDM4E (0.50) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL6626852 0.77 KDM4E (0.50) KDM4ESMN1; SMN2HTTALDH1A1GAA

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