SCHEMBL29025199

SCHEMBL29025199

O=P(O)(O)OCCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PIN1 Q13526 3/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL1297642 0.89 ALDH1A1 (0.53) MAPTALDH1A1NPSR1L3MBTL1CA12
SCHEMBL29740904 0.86 ALDH1A1 (0.50) MAPTALDH1A1NPSR1KCNH3HDAC3
SCHEMBL5572988 0.86 ALDH1A1 (0.50) MAPTALDH1A1NPSR1KCNH3HDAC3
SCHEMBL637661 0.84 ALDH1A1 (0.43) MAPTALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL28237020 0.81 NPSR1 (0.44) MAPTALDH1A1NPSR1PIN1CA12
SCHEMBL21172041 0.75 DRD4 (0.54) MAPTTSHR
SCHEMBL5804069 0.74 MAPT (0.47) MAPTALDH1A1NPSR1L3MBTL1CA12
SCHEMBL632952 0.74 KCNH3 (0.62) MAPTALDH1A1L3MBTL1KCNH3
SCHEMBL11037016 0.74 KIF11 (0.49) PIN1TSHRSRC
SCHEMBL3248804 0.73 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1KCNH3LMNA

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-116171987-A Efficient and stable pesticide and preparation method thereof 千沐草生物工程有限公司 2023-05-30 CN claimed