SCHEMBL28907602

SCHEMBL28907602

O=COCCc1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.50
CYP2A6 P11509 1/20 0.46
HTR2B P41595 3/20 0.40
HTR1A P08908 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP19A1 P11511 1/20 0.39
FLT3 P36888 1/20 0.39
DRD2 P14416 3/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
TYR P14679 1/20 0.38
DAO P14920 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5541861 0.83 AGXT (0.62) LOXL2AGXTCYP2A6HTR2BHTR1A
SCHEMBL28007144 0.80 FLT3 (0.44) ESR2FLT3TYRAKR1B1HPGD
SCHEMBL28245393 0.80 CYP2A6 (0.36) AGXTCYP2A6CYP19A1
SCHEMBL28290282 0.80 PPARG (0.60) CYP19A1HPGDSMN1; SMN2
SCHEMBL28607036 0.80 FLT3 (0.44) LOXL2AGXTFLT3DRD2SMN1; SMN2
SCHEMBL28820499 0.80 CA2 (0.42) LOXL2AGXTFLT3HPGDSMN1; SMN2
SCHEMBL28441816 0.80 MAOB (0.44) CYP19A1AKR1B1SMN1; SMN2
SCHEMBL11661146 0.78 LOXL2 (0.55) LOXL2AGXTCYP2A6HTR2BHTR1A
SCHEMBL28029442 0.76 LOXL2 (0.37) LOXL2
SCHEMBL27813206 0.76 MAOB (0.44) POLB

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-110092778-B Method for preparing vilazodone intermediate and vilazodone medicine by using cheap metal copper 浙江工业大学 2021-02-09 CN disclosed