SCHEMBL6509288

SCHEMBL6509288

COC(=O)[C@H](CC(C)C)N(C)c1nc(Cl)cc(Sc2ccc(OC)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
PTGES O14684 1/20 0.35
PPM1G O15355 1/20 0.35
ALOX5 P09917 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM5A P29375 1/20 0.35
PPM1A P35813 1/20 0.35
PTPN9 P43378 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL6509294 1.00 ATM (0.35) ATMPTGESPPM1GALOX5PTPN1
SCHEMBL6510440 0.91 PTGES (0.37) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL6510442 0.91 PTGES (0.37) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL6510073 0.80 HPGD (0.39) SMN1; SMN2MAPTALDH1A1TP53RXFP1
SCHEMBL6510069 0.80 HPGD (0.39) SMN1; SMN2MAPTALDH1A1TP53RXFP1
SCHEMBL6511364 0.79 NPR3 (0.45) TAS1R3TAS1R1MAPTCYP2C9CYP2C19
SCHEMBL6511358 0.79 NPR3 (0.45) TAS1R3TAS1R1MAPTCYP2C9CYP2C19
SCHEMBL8297653 0.73 TAS1R3 (0.43) TAS1R3TAS1R1MAPTCYP2C9CYP2C19
SCHEMBL6508234 0.72 HPGD (0.37) SMN1; SMN2MAPTALDH1A1TP53RXFP1
SCHEMBL6514102 0.72 HPGD (0.40) ATMSMN1; SMN2MAPTALDH1A1TP53

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
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed