SCHEMBL6625856

SCHEMBL6625856

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
CDK2 P24941 3/20 0.41
CSNK2A1 P68400 8/20 0.39
HPGD P15428 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL6624817 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6628015 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6623332 0.85 KDM4E (0.53) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6628012 0.81 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6626092 0.81 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6625224 0.80 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6622719 0.78 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6627001 0.78 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6626469 0.77 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL6622646 0.76 KDM4E (0.44) KDM4ESMN1; SMN2KMT2AGAAALDH1A1

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