SCHEMBL6624635

SCHEMBL6624635

CC(C)(C)N1CCc2c(C(=O)O)nc3c(C#N)cnn3c21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
BCL6 P41182 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CSNK2A1 P68400 8/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6624483 0.85 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6369769 0.83 KDM4E (0.58) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6626092 0.83 KDM4E (0.57) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6625221 0.81 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6628012 0.81 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6623329 0.81 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6624423 0.80 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6625993 0.79 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6622522 0.78 BCL6 (0.43) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6624748 0.78 BCL6 (0.43) KDM4EKMT2ASMN1; SMN2GAAHTT

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