SCHEMBL9759823

SCHEMBL9759823

CCOc1nc(NS(=O)(=O)c2ccccc2OC(F)F)nc(OCC)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALPL P05186 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
SCHEMBL10916578 0.86 MAPT (0.61) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL11053060 0.79 ALDH1A1 (0.55) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL10604941 0.77 MAPT (0.53) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL9901715 0.74 SLC22A12 (0.47) SLC22A12ALDH1A1KDM4ECA9MEN1
SCHEMBL9759676 0.74 SLC40A1 (0.55) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL28170661 0.72 SLC22A12 (0.50) SLC22A12ALDH1A1HTTKMT2A
SCHEMBL11175919 0.72 MAPT (0.46) SLC22A12MAPTALDH1A1KDM4ENPC1
SCHEMBL10744629 0.72 MAPT (0.46) SLC22A12MAPTALDH1A1KDM4ENPC1
SCHEMBL10914023 0.69 ALDH1A1 (0.59) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL10915660 0.69 MAPT (0.43) MAPTALDH1A1KDM4ENPC1KMT2A

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