SCHEMBL9871995

SCHEMBL9871995

COc1ccccc1S(=O)(=O)N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NFE2L2 Q16236 9/20 0.41
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KAT6A Q92794 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 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
SCHEMBL38652743 1.00 HTR6 (0.51) HTR6KMT2APKMCA12CA1
SCHEMBL10863861 0.90 HTR6 (0.42) HTR6KMT2APKMCA12CA1
SCHEMBL38652887 0.87 CA2 (0.43) HTR6KMT2ACA12CA1CA2
SCHEMBL7806811 0.83 ELANE (0.40) HTR6KMT2ASMN1; SMN2
SCHEMBL11094970 0.82 HTR6 (0.35) HTR6KMT2APKMCA1CA2
SCHEMBL38661865 0.81 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL10735199 0.81 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL11092403 0.81 AR (0.36) HTR6CA2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6585748 0.81 HTR6 (0.58) HTR6KMT2APKMCA12CA1
SCHEMBL6677573 0.80 GAA (0.36) HTR6KMT2ACA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954628-A HERBICIDES, PLANT GROWTH REGULATORS, PHARMACEUTICALS NITROKAELEPEK (HU) 1990-09-04 US claimed
CN-1171197-A Method for synthesizing herbicide of sulfonylureas ZHANG HUIMING (CN) 1998-01-28 CN disclosed
US-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
US-4954628-A HERBICIDES, PLANT GROWTH REGULATORS, PHARMACEUTICALS NITROKAELEPEK (HU) 1990-09-04 US disclosed
EP-0348746-A2 Thiazolopyrimidine derivatives, process for their preparation and their use as pest control agents BAYER AG (DE) 1990-01-03 EP disclosed