SCHEMBL9852821

SCHEMBL9852821

COc1ccccc1S(=O)(=O)NC(=O)Oc1nc(C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KAT6A Q92794 1/20 0.42
PKM P14618 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
RAD52 P43351 1/20 0.40
BRD4 O60885 2/20 0.40
RAPGEF3 O95398 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LDHA P00338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
ITGAV P06756 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
SCHEMBL10388680 0.80 THRB (0.52) THRBHPGDTSHRL3MBTL1GAA
SCHEMBL7552123 0.79 KAT6A (0.52) TSHRKAT6APKMSLC40A1RAD52
SCHEMBL9852812 0.74 NPSR1 (0.47) THRBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL9357229 0.74 HSD17B10 (0.42) THRBHPGDTSHRRAPGEF3ALDH1A1
SCHEMBL10761883 0.71 HPGD (0.45) HCRTR1HCRTR2THRBHPGDTSHR
SCHEMBL9852795 0.70 ALPL (0.45) SLC40A1RAPGEF3
SCHEMBL2994281 0.70 KDM4E (0.47) KAT6ASLC40A1ALDH1A1KDM4EGAA
SCHEMBL6620390 0.69 HTR6 (0.49) HPGDTSHRKAT6APKMSLC40A1
SCHEMBL9852809 0.69 ALPL (0.47) SLC40A1BRD4
SCHEMBL8224006 0.68 HTR6 (0.55) TSHRKAT6APKMSLC40A1ITGAV

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
EP-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed