SCHEMBL28733085

SCHEMBL28733085

Cc1ccc(NC(=O)C(F)Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KIF11 P52732 1/20 0.47
TGM2 P21980 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NMT1 P30419 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL25668716 0.84 MAPT (0.63) MAPTTDP1POLBNPC1RAB9A
SCHEMBL20150737 0.82 MAPT (0.67) MAPTTDP1POLBNPC1RAB9A
SCHEMBL28733084 0.82 MEN1 (0.56) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL6996164 0.81 MAPT (0.70) MAPTTDP1POLBNPC1RAB9A
SCHEMBL28975445 0.81 MAPT (0.59) MAPTTDP1POLBNPC1RAB9A
SCHEMBL28939191 0.81 NPC1 (0.52) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL9676988 0.80 POLB (0.57) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL12618875 0.79 MAPT (0.58) MAPTTDP1POLBNPC1RAB9A
SCHEMBL28733079 0.79 HSD17B10 (0.59) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12755626 0.78 MAPT (0.56) MAPTTDP1POLBNPC1RAB9A

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-114436882-B Synthesis method of asymmetric oxamide derivative 浙江工业大学 2023-09-19 CN disclosed
CN-114436882-A Method for synthesizing asymmetric oxamide derivative 浙江工业大学 2022-05-06 CN disclosed