SCHEMBL11254342

SCHEMBL11254342

COC(=O)N(C)c1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SCN4A P35499 2/20 0.44
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NR4A2 P43354 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7601710 0.80 MEN1 (0.41) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL7600084 0.78 KMT2A (0.40) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL11254340 0.78 MEN1 (0.43) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL8300145 0.77 SCN4A (0.47) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL10559008 0.77 TSHR (0.37) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL11506117 0.75 SCN4A (0.46) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL10560390 0.74 TSHR (0.35) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL31093969 0.73 SCN4A (0.45) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL11427196 0.73 SCN4A (0.42) S1PR4MEN1KMT2APLA2G1BHTT
SCHEMBL17648440 0.73 S1PR4 (0.39) S1PR4MEN1KMT2APLA2G1BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013742-B1 SUBSTITUTED SULFONIC ACID ANILIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1982-12-22 EP disclosed
EP-0013742-A1 Substituted sulfonic acid anilides, their preparation and use BASF Aktiengesellschaft (DE) 1980-08-06 EP disclosed