SCHEMBL11642154

SCHEMBL11642154

NC(=S)C(c1ccccn1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
IDH1 O75874 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
PPP1CA P62136 1/20 0.47
KCNA5 P22460 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KCNE1 P15382 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL30275033 0.86 L3MBTL1 (0.47) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL11814419 0.85 KCNA5 (0.61) HSD17B10LMNAPPP1CAKCNA5SMN1; SMN2
SCHEMBL11813355 0.83 IDH1 (0.49) L3MBTL1LMNAIDH1PPP1CAKCNA5
SCHEMBL11880541 0.78 L3MBTL1 (0.42) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL11639513 0.77 CHRM2 (0.42) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL11821540 0.76 MAPT (0.42) L3MBTL1HSD17B10LMNAIDH1TP53
Hydrochloric Acid SCHEMBL11635049 0.76 LMNA (0.43) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL16464338 0.74 L3MBTL1 (0.49) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL11878537 0.74 KCNA5 (0.44) L3MBTL1HSD17B10LMNAIDH1TP53
SCHEMBL16461215 0.74 DPP4 (0.56) L3MBTL1HSD17B10LMNAIDH1TP53

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
US-4118567-A 3-Morpholino-2-heterocyclic-thiopropanamides SMITHKLINE CORPORATION (US) 1978-10-03 US disclosed
US-3933811-A N-aminomethyl-2-amino(and 2-amino-methyl)-2-(2-quinolyl)-thioacetamides SMITHKLINE CORPORATION (US) 1976-01-20 US disclosed