SCHEMBL27552102

SCHEMBL27552102

[CH2]C(Cl)c1cnc2ccccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ERN1 O75460 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NCF1 P14598 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL22758231 0.79 MAOA (0.47) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL2718614 0.76 MAOA (0.44) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL30583086 0.74 MAOA (0.54) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL28220033 0.74 MAOA (0.54) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL6345730 0.71 USP5 (0.44) MAOAMAOBERN1ALDH1A1MAPT
SCHEMBL11295043 0.71 ERN1 (0.55) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL201997 0.71 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL2125593 0.71 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL5745844 0.71 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A
SCHEMBL6822558 0.71 MAOA (0.50) MAOAMAOBKDM4EGPR3PDE4A

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
CN-1286815-C 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-11-29 CN disclosed
CN-1507434-A Novel 4-anilinoquinoline-3-carboxamides 2004-06-23 CN disclosed