SCHEMBL6623329

SCHEMBL6623329

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CDK2 P24941 1/20 0.37
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
CSNK2A1 P68400 8/20 0.36
BCL6 P41182 2/20 0.36
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
CSNK2A2 P19784 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
DYRK2 Q92630 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
SCHEMBL6626092 0.89 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6627418 0.87 KDM4E (0.56) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6624070 0.81 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6628015 0.81 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6624502 0.79 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6629334 0.79 KDM4E (0.59) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6624423 0.79 KDM4E (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL8211881 0.78 HTR2C (0.41) CDK2
SCHEMBL6624748 0.77 BCL6 (0.43) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6622522 0.77 BCL6 (0.43) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD

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