SCHEMBL8098958

SCHEMBL8098958

CCOC(=O)c1nccn1C1Cc2c(C#N)cccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HTT P42858 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CACNA1C Q13936 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL8012794 0.89 ELANE (0.34) ELANEALDH1A1GAAKDM4EADORA3
SCHEMBL8881566 0.88 ACHE (0.40) ALDH1A1HTTADORA3ADORA2BGABRA1
SCHEMBL8880275 0.86 ADORA3 (0.35) L3MBTL1KDM4EHTTADORA3ADORA2B
SCHEMBL8879634 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EADORA3ADORA2BGABRA1
SCHEMBL8880778 0.86 MAPT (0.37) ALDH1A1L3MBTL1KDM4EADORA3ADORA2B
SCHEMBL8883880 0.85 RAB9A (0.39) ALDH1A1GAAKDM4EADORA3GABRA1
SCHEMBL7847527 0.84 ADRA1A (0.36) ELANEKDM4E
SCHEMBL7849471 0.83 KDM4E (0.36) ELANEKDM4E
SCHEMBL8317836 0.83 TSHR (0.36) ELANEALDH1A1L3MBTL1KDM4EADORA3
SCHEMBL8879965 0.81 MAPT (0.46) ALDH1A1L3MBTL1GAAKDM4EADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed