SCHEMBL6624070

SCHEMBL6624070

CCC(CC)N1CCc2c(Cl)nc3c(C#N)cnn3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.47
CDK2 P24941 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 3/20 0.43
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CRHR1 P34998 2/20 0.37
CSNK2A1 P68400 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6626868 0.91 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6623332 0.88 KDM4E (0.53) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6628015 0.85 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6623329 0.81 KDM4E (0.53) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6625221 0.79 KDM4E (0.45) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6625277 0.79 KDM4E (0.45) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6627418 0.78 KDM4E (0.56) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL9876869 0.78 KDM4E (0.62) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6628874 0.77 KDM4E (0.44) KDM4ESMN1; SMN2KMT2ACDK2GAA
SCHEMBL6624817 0.76 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ACDK2GAA

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