SCHEMBL6622646

SCHEMBL6622646

CC(C)N1CCc2cnc3c(C#N)cnn3c21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4D Q6B0I6 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
CDK2 P24941 2/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RECQL P46063 1/20 0.37
CSNK2A1 P68400 2/20 0.36
ABL1 P00519 1/20 0.34
KDR P35968 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
SCHEMBL6623302 0.87 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6625277 0.86 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6624998 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6625176 0.78 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6625856 0.76 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6623597 0.76 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6623332 0.76 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6627873 0.76 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6626524 0.75 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6626092 0.73 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A

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