SCHEMBL11241379

SCHEMBL11241379

N=C(N)Nc1nc(CSCCC(=N)N(N)S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SLC22A2 O15244 2/20 0.36
CA12 O43570 2/20 0.36
SLC22A3 O75751 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 2/20 0.36
MAOA P21397 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
HRH2 P25021 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
POU5F1 Q01860 2/20 0.36
CA9 Q16790 2/20 0.36
SLC47A2 Q86VL8 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
SLC47A1 Q96FL8 2/20 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
SCHEMBL11251663 0.84 ADRB2 (0.41) LMNACA12CA1CA2CA9
SCHEMBL11388323 0.82 ALDH1A1 (0.40) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL11239700 0.82 AOC3 (0.42) LMNAPDE5AALDH1A1AOC3MEN1
SCHEMBL10585196 0.78 SLC22A2 (0.41) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL11241210 0.78 SMN1; SMN2 (0.39) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL9817424 0.77 HRH2 (0.40) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL10587291 0.76 HRH2 (0.39) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL10678909 0.76 ALDH1A1 (0.39) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL10678904 0.76 ALDH1A1 (0.39) LMNASLC22A2CA12SLC22A3CA1
SCHEMBL11394438 0.76 KMT2A (0.47) LMNATSHRALDH1A1MAPTMAPK1

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-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed