SCHEMBL9333370

SCHEMBL9333370

O=C(NC(=S)Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.59
MEN1 O00255 7/20 0.59
MAPT P10636 6/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KCNH2 Q12809 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
RRM1 P23921 1/20 0.54
RRM2B Q7LG56 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 3/20 0.53
HCRTR1 O43613 1/20 0.53
MAPK1 P28482 1/20 0.53
ROCK1 Q13464 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL9336088 0.90 TDP1 (0.68) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9336240 0.90 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9336179 0.90 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9617041 0.88 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9336145 0.86 MAPT (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9333163 0.85 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2379466 0.83 MAPT (0.80) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL12783890 0.81 MAPT (0.73) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10448307 0.80 NPC1 (0.60) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7239674 0.80 RAB9A (0.71) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302608-A Antidiabetic, anticholesterol agents; vision disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-12 US claimed
EP-0369453-A2 AGE-formation inhibitory agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP claimed
JP-3157377-A None JP disclosed
US-5302608-A Antidiabetic, anticholesterol agents; vision disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-12 US disclosed
JP-H03157377-A THIOUREA DERIVATIVE AND AGE PRODUCTION INHIBITOR TAKEDA CHEM IND LTD 1991-07-05 JP disclosed
EP-0369453-A2 AGE-formation inhibitory agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed