SCHEMBL7653310

SCHEMBL7653310

CC(=N)Nc1ccc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 12/20 0.63
CSNK2B P67870 12/20 0.63
CSNK2A1 P68400 12/20 0.63
ALOX5 P09917 4/20 0.57
POLH Q9Y253 4/20 0.57
CYP3A4 P08684 4/20 0.57
MAPT P10636 4/20 0.57
ALOX15 P16050 4/20 0.57
IP6K2 Q9UHH9 4/20 0.57
TNKS O95271 3/20 0.57
PARP1 P09874 3/20 0.57
TNKS2 Q9H2K2 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
FTO Q9C0B1 2/20 0.57
ST6GAL1 P15907 1/20 0.57

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
SCHEMBL926335 0.84 GABRP (0.63) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
SCHEMBL7639120 0.84 PLA2G2A (0.59) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL928083 0.83 PLA2G2A (0.58) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
SCHEMBL7637766 0.82 MAPT (0.67) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
SCHEMBL7639939 0.82 NPC1 (0.59) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL926011 0.81 NPC1 (0.58) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL926266 0.81 MAPT (0.64) CSNK2A2CSNK2BCSNK2A1CYP3A4MAPT
SCHEMBL7643991 0.80 MEN1 (0.58) CSNK2A2CSNK2BCSNK2A1ALOX5POLH
Hydrochloric Acid SCHEMBL925356 0.79 MEN1 (0.57) CSNK2A2CSNK2BCSNK2A1ALOX5POLH
SCHEMBL29664594 0.78 ALOX5 (0.78) CSNK2A2CSNK2BCSNK2A1ALOX5POLH

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
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed