SCHEMBL28010767

SCHEMBL28010767

O=C1Nc2ccccc2C1(Cl)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
ATM Q13315 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
GAA P10253 3/20 0.45
MGAM O43451 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
PGR P06401 1/20 0.43

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
SCHEMBL7468434 0.83 MAPT (0.55) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL7834463 0.76 PGR (0.59) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL12165522 0.76 ATM (0.77) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL7834955 0.72 ATM (0.48) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL1319883 0.72 MDM2 (0.58) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL29078052 0.71 PDK2 (0.57) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL28453250 0.69 MGAM (0.60) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3244982 0.69 ATM (0.58) ALDH1A1KDM4EMAPTHPGDATM
SCHEMBL16865410 0.69 ELANE (0.51) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL28975719 0.68 ATM (0.43) ALDH1A1KDM4ECYP1A2CYP3A4MAPT

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
CN-104529894-A Quinolinone derivative and preparation method thereof CHENGDU LIKAI CHIRAL TECHNOLOGY CO LTD 2015-04-22 CN disclosed