SCHEMBL6625850

SCHEMBL6625850

N#Cc1cnn2c3c(c(Cl)nc12)CCN3C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.40
CDK2 P24941 3/20 0.39
BCL6 P41182 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
CSNK2A1 P68400 4/20 0.35

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
SCHEMBL6629457 0.98 KDM4E (0.45) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6625990 0.96 KDM4E (0.44) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6628874 0.95 KDM4E (0.44) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6622719 0.87 KDM4E (0.46) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL8193229 0.84 KDM4E (0.59) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6627001 0.84 KDM4E (0.46) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6626469 0.83 KDM4E (0.45) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6624748 0.82 BCL6 (0.43) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6625224 0.81 KDM4E (0.45) KDM4EHTTKMT2ASMN1; SMN2GAA
SCHEMBL6622522 0.80 BCL6 (0.43) KDM4EHTTKMT2ASMN1; SMN2GAA

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