SCHEMBL6626427

SCHEMBL6626427

CCC(C)N1CCc2c(CN3CCN(C)CC3)nc3c(C#N)cnn3c21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
CDK2 P24941 2/20 0.36
CSNK2A1 P68400 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RET P07949 1/20 0.31
PGK1 P00558 1/20 0.31
CSNK2A2 P19784 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHKA P35790 1/20 0.31

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
SCHEMBL6625939 0.89 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6625170 0.89 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6628654 0.85 KDM4E (0.48) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6625974 0.85 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6623409 0.84 KDM4E (0.49) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6624980 0.83 KDM4E (0.46) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6625383 0.83 KDM4E (0.48) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL6624829 0.83 KDM4E (0.53) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL9876869 0.82 KDM4E (0.62) KDM4EKMT2ASMN1; SMN2GAAHTT
SCHEMBL8187108 0.82 HTT (0.33) KDM4ESMN1; SMN2HTTALDH1A1NPC1

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