SCHEMBL28546258

SCHEMBL28546258

NCc1ccc(-n2nccn2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.38
ENPP2 Q13822 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ADRA2A P08913 2/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
SLC6A2 P23975 2/20 0.36
MAPK1 P28482 2/20 0.36
DRD3 P35462 2/20 0.36
RECQL P46063 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL28533724 0.86 ABAT (0.38) ABATENPP2KDM4EMAPTADRA2A
SCHEMBL19566854 0.82 TRPA1 (0.52) KDM4EALDH1A1GAANOS1POLB
SCHEMBL26016353 0.78 ESR1 (0.43) KDM4EMAPTMAPK1RECQLTDP1
SCHEMBL11386356 0.78 NPC1 (0.47) ABATENPP2KDM4EMAPTADRA2A
SCHEMBL29793409 0.76 CASP1 (0.42) KDM4EMAPTMAPK1RECQLTDP1
SCHEMBL28524455 0.76 CASP1 (0.42) KDM4EMAPTMAPK1RECQLTDP1
SCHEMBL29359577 0.69 KDM4E (0.67) ABATKDM4EMAPTADRA2ADRD2
SCHEMBL110644 0.69 KDM4E (0.67) ABATKDM4EMAPTADRA2ADRD2
SCHEMBL4917355 0.69 LOXL2 (0.46) ABATADRB2TAAR1LOXL2F11
SCHEMBL3564734 0.68 DRD2 (0.45) KDM4EMAPTDRD2DRD1DRD4

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-108842932-B High-adhesion polyolefin anti-adhesion film and preparation method thereof 江苏优珀斯材料科技有限公司 2021-03-19 CN disclosed