SCHEMBL9759975

SCHEMBL9759975

COc1nc(NS(=O)(=O)c2ccccc2F)nc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.46
EDNRB P24530 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCR4 P51679 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL9759332 0.82 LMNA (0.55) EDNRAALDH1A1MAPTPKMNPC1
SCHEMBL9684325 0.76 MAPT (0.46) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL821765 0.75 TSHR (0.62) ALDH1A1TSHRMAPTPKMCCR4
SCHEMBL1094168 0.74 KDM4E (0.55) EDNRAALDH1A1TSHREDNRBNPC1
SCHEMBL10778570 0.72 CA1 (0.36) ALDH1A1TSHRPOLBCCR4KMT2A
SCHEMBL8740203 0.71 EDNRA (0.42) EDNRAALDH1A1MAPTKMT2AGAA
SCHEMBL26662451 0.71 ALDH1A1 (0.49) EDNRAALDH1A1TSHREDNRBMAPT
SCHEMBL1732838 0.70 CCR4 (0.67) EDNRACCR4
SCHEMBL27521431 0.70 SLC40A1 (0.41) ALDH1A1TSHRPOLBPKMKMT2A
SCHEMBL30438514 0.70 LMNA (0.64) ALDH1A1TSHRMAPTRAB9AKMT2A

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-5006156-A Postemergene herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US claimed