SCHEMBL6623409

SCHEMBL6623409

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.41
CDK2 P24941 3/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CSNK2A1 P68400 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 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
SCHEMBL6628654 0.88 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6625974 0.88 KDM4E (0.53) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6625383 0.86 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6624829 0.86 KDM4E (0.53) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6624980 0.86 KDM4E (0.46) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6628338 0.86 KDM4E (0.50) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL9876869 0.85 KDM4E (0.62) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6626427 0.84 KDM4E (0.45) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6626414 0.84 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ACDK2HTT
SCHEMBL6626852 0.83 KDM4E (0.50) KDM4ESMN1; SMN2KMT2ACDK2HTT

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