SCHEMBL19468359

SCHEMBL19468359

OC1CCN(C(=S)SCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.55
PHGDH O43175 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 2/20 0.43
PKLR P30613 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL19468360 0.87 MGLL (0.59) MGLLPHGDHCA12CA1CA2
SCHEMBL19468162 0.84 L3MBTL1 (0.58) MGLLPHGDHL3MBTL1PKMPKLR
SCHEMBL30064872 0.83 PKM (0.59) MGLLPHGDHCA12CA1CA2
SCHEMBL19468402 0.82 PKM (0.61) MGLLPHGDHCA12CA1CA2
SCHEMBL19468057 0.80 KMT2A (0.50) MGLLPHGDHMAPTLMNAL3MBTL1
SCHEMBL9246370 0.79 KDM1A (0.49) MGLLPHGDHCA12CA1CA2
SCHEMBL19468377 0.79 PKM (0.58) MGLLPHGDHCA12CA1CA2
SCHEMBL19494811 0.79 MGLL (0.55) MGLLPHGDHCA12CA1CA2
SCHEMBL19380430 0.79 RAB9A (0.61) MGLLPHGDHMAPTLMNAGAA
SCHEMBL19468327 0.79 NPC1 (0.61) MGLLPHGDHCA12CA1CA2

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-3235815-A1 AGENTS AGAINST PARASITIC HELMINTHS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2017-10-25 EP disclosed
EP-3235815-A1 AGENTS AGAINST PARASITIC HELMINTHS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2017-10-25 EP disclosed