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SCHEMBL9738431

SCHEMBL9738431

COc1nc(C)nc(NC(=NN=C(C)C)NS(=O)(=O)c2ccccc2OC(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL10383467 0.85 MAPT (0.43) MAPTKDM4ENPC1ALDH1A1
SCHEMBL9737078 0.81 ALPL (0.40) MAPTSLC22A12
SCHEMBL11175919 0.79 MAPT (0.46) MAPTSLC22A12KDM4ENPC1ALDH1A1
SCHEMBL9737308 0.77 SLC22A12 (0.42) MAPTSLC22A12ALDH1A1
SCHEMBL9586514 0.76 PTGER4 (0.35) MAPTSLC22A12
SCHEMBL9587331 0.75 KMT2A (0.43) MAPTNPC1
SCHEMBL10875474 0.75 SMN1; SMN2 (0.38) SLC22A12ALDH1A1HPGDCASP1
SCHEMBL10386771 0.75 ALDH1A1 (0.46) MAPTSLC22A12KDM4ENPC1ALDH1A1
SCHEMBL10915660 0.75 MAPT (0.43) MAPTCNR2KDM4ENPC1ALDH1A1
SCHEMBL1869173 0.75 MAPT (0.41) MAPTKDM4ENPC1ALDH1A1

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
US-5167692-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 — — US claimed