SCHEMBL8552475

SCHEMBL8552475

CCCCCNc1cccc(NC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
F2R P25116 2/20 0.42
CNR2 P34972 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
EPHX1 P07099 6/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MERTK Q12866 3/20 0.39
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
GAS6 Q14393 1/20 0.38

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
SCHEMBL3662823 0.85 ABL1 (0.54) ABL1F2RKCNH3EPHX1HTT
SCHEMBL22176875 0.82 ABL1 (0.53) ABL1F2RKCNH3EPHX1HTT
SCHEMBL8667014 0.79 F2R (0.56) KDM4EABL1F2RKCNH3HTT
SCHEMBL21799532 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL21799643 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL21799443 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL3397885 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL21799916 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL21799446 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1
SCHEMBL5604882 0.79 TSHR (0.50) KDM4EABL1F2RKCNH3EPHX1

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
JP-11158150-A None JP disclosed
JP-H11158150-A 5-AMINO-1-CYCLOPROPYL-4-OXOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE AND ITS PREPARATION IHARA CHEM IND CO LTD 1999-06-15 JP disclosed