SCHEMBL6625224

SCHEMBL6625224

N#Cc1cnn2c3c(c(N)nc12)CCN3C1CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
CDK2 P24941 2/20 0.41
CHEK1 O14757 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
CSNK2A1 P68400 6/20 0.39
ALDH1A1 P00352 2/20 0.39
BCL6 P41182 3/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABL1 P00519 1/20 0.35
KDR P35968 1/20 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
SCHEMBL6627001 0.95 KDM4E (0.46) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6622719 0.95 KDM4E (0.46) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6626469 0.94 KDM4E (0.45) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6628874 0.86 KDM4E (0.44) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL8193229 0.82 KDM4E (0.59) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6624423 0.82 KDM4E (0.44) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6625850 0.81 KDM4E (0.45) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6629457 0.81 KDM4E (0.45) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6625990 0.81 KDM4E (0.44) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL6625856 0.80 KDM4E (0.53) KDM4EHTTSMN1; SMN2KMT2AGAA

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