SCHEMBL28117700

SCHEMBL28117700

NNC(=O)C(O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
CHRM1 P11229 1/20 0.42
COMT P21964 1/20 0.42
ADRA1A P35348 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42

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
SCHEMBL8686129 0.81 PARP1 (0.49) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL16084043 0.75 MMP2 (0.55) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL11864139 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EADRA1AMETAP2
SCHEMBL28250040 0.72 PARP1 (0.54) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL17541529 0.72 MMP2 (0.52) MAPTALDH1A1PARP1KDM4ETDP1
SCHEMBL110552 0.71 PARP1 (0.67) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL5185814 0.70 PARP1 (0.47) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL30317532 0.69 MMP2 (0.44) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL28986021 0.69 MMP2 (0.44) MAPTALDH1A1HPGDPARP1KDM4E
SCHEMBL19682364 0.69 PARP1 (0.46) MAPTALDH1A1HPGDPARP1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106198518-B A kind of copper ion quick detection test paper and preparation method thereof 河南城建学院 2019-07-16 CN disclosed
CN-106198522-B A kind of fast detection kit for copper ions and its detection method 河南城建学院 2019-02-22 CN disclosed
CN-106198522-A A kind of fast detection kit for copper ions and detection method thereof 河南城建学院 2016-12-07 CN disclosed
CN-106198518-A A kind of copper ion quick detection test paper and preparation method thereof 河南城建学院 2016-12-07 CN disclosed