SCHEMBL11075747

SCHEMBL11075747

COC(CNC(=S)N1CCN(c2ccc(O)cc2)CC1)OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
GAA P10253 7/20 0.57
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6710998 0.73 ALDH1A1 (0.53) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL11066751 0.71 POLB (0.49) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL10465161 0.71 ALDH1A1 (0.58) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL5544811 0.69 L3MBTL1 (0.73) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL6709698 0.68 ALDH1A1 (0.76) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL27863006 0.68 TDP1 (0.54) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL7041242 0.67 MAPT (0.68) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL20639749 0.66 POLB (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8931659 0.66 KMT2A (0.65) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL13090000 0.65 L3MBTL1 (0.62) MAPTGAAALDH1A1KMT2ALMNA

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