SCHEMBL6629334

SCHEMBL6629334

CCOC(=O)c1nc2c(C#N)cnn2c2c1CCN2C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.59
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPT P10636 2/20 0.38
CDK2 P24941 1/20 0.36
CSNK2A1 P68400 1/20 0.35
P2RY12 Q9H244 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6624502 0.92 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6627418 0.92 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6626092 0.85 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6624483 0.85 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6628127 0.84 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8187122 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6627867 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6623692 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6623531 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8191407 0.80 PDE4A (0.49) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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