SCHEMBL28210375

SCHEMBL28210375

Cc1cc(O)ccc1C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.48
LMNA P02545 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
FURIN P09958 1/20 0.41
F2 P00734 3/20 0.41
F10 P00742 3/20 0.41
PLAU P00749 3/20 0.41
PLAT P00750 3/20 0.41
PLG P00747 2/20 0.41
ESR2 Q92731 5/20 0.39
ESR1 P03372 4/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL7333075 0.89 F2 (0.41) F12LMNAPRSS1PRSS2PRSS3
SCHEMBL28171884 0.83 PRSS1 (0.47) F12LMNAPRSS1PRSS2PRSS3
SCHEMBL2107802 0.80 PRSS1 (0.48) PRSS1PRSS2PRSS3FURINF2
SCHEMBL27758947 0.78 ALDH1A1 (0.50) LMNAPRSS1PRSS2PRSS3FURIN
SCHEMBL31493196 0.78 ALDH1A1 (0.42) F12ESR2ESR1CYP3A4CHRM1
SCHEMBL5952602 0.78 MKNK1 (0.47) HSD17B1
SCHEMBL28013376 0.77 CES2 (0.54) F12LMNAESR2ESR1CYP3A4
SCHEMBL8631612 0.77 PRSS1 (0.45) LMNAPRSS1PRSS2PRSS3FURIN
SCHEMBL3951347 0.77 PRSS1 (0.45) PRSS1PRSS2PRSS3FURINF2
SCHEMBL2818302 0.75 GAA (0.43) LMNAESR2ESR1CYP3A4CHRM1

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-105143214-B 3, 5-disubstituted-4, 5-dihydro-1, 2, 4-oxadiazoles for controlling nematode pests 孟山都技术公司 2018-04-03 CN disclosed