SCHEMBL11066751

SCHEMBL11066751

COc1ccc(N2CCN(NC(=S)NCC(OC)OC)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 5/20 0.44
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 1/20 0.43
DRD2 P14416 1/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL10465161 0.85 ALDH1A1 (0.58) POLBMAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL8931659 0.76 KMT2A (0.65) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11242113 0.73 L3MBTL1 (0.48) POLBMAPTGAAL3MBTL1SMN1; SMN2
Iodide SCHEMBL11072483 0.72 L3MBTL1 (0.41) POLBMAPTGAAL3MBTL1MEN1
Iodide SCHEMBL11072480 0.72 L3MBTL1 (0.41) POLBMAPTGAAL3MBTL1MEN1
SCHEMBL11070346 0.72 L3MBTL1 (0.63) POLBMAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL9621783 0.72 ALDH1A1 (0.64) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL11075747 0.71 MAPT (0.57) POLBMAPTGAASMN1; SMN2MEN1
Iodide SCHEMBL11065771 0.71 DRD2 (0.41) POLBMAPTGAAL3MBTL1MEN1
Iodide SCHEMBL11065766 0.71 DRD2 (0.41) POLBMAPTGAAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456605-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-26 US disclosed
US-4402957-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-09-06 US disclosed
EP-0007696-B1 HETEROCYCLIC DERIVATIVES OF (4-(PIPERAZIN-1-YL-PHENYLOXYMETHYL)-1.3.-DIOXOLAN-2-YLMETHYL)-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND USE AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-27 EP disclosed
US-4287195-A USEFUL AS BACTERICIDES AND FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-09-01 US disclosed
EP-0007696-A1 Heterocyclic derivatives of (4-(piperazin-1-yl-phenyloxymethyl)-1.3.-dioxolan-2-ylmethyl)-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-02-06 EP disclosed