SCHEMBL8880778

SCHEMBL8880778

CCOC(=O)c1nccn1C1Cc2c(Cl)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
ALOX12 P18054 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL8881566 0.90 ACHE (0.40) MAPTALDH1A1ADORA3ADORA2BGABRA1
SCHEMBL8879634 0.88 ALDH1A1 (0.37) MAPTALDH1A1NPSR1POLBKDM4E
SCHEMBL8880275 0.88 ADORA3 (0.35) MAPTL3MBTL1NPSR1KDM4ELMNA
SCHEMBL8883880 0.87 RAB9A (0.39) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL8317836 0.86 TSHR (0.36) MAPTALDH1A1L3MBTL1NPSR1TSHR
SCHEMBL8098958 0.86 ELANE (0.36) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL8012794 0.84 ELANE (0.34) MAPTALDH1A1KDM4ECYP2C9ADORA3
SCHEMBL8557798 0.84 KIF11 (0.36) ALDH1A1KDM4EKIF11
SCHEMBL8879965 0.83 MAPT (0.46) MAPTALDH1A1L3MBTL1POLBKDM4E
SCHEMBL8557277 0.83 AADAT (0.34) CYP3A4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed