SCHEMBL9700714

SCHEMBL9700714

CCc1cc(SCCSc2ccc(N)c(CC)c2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
MAPK1 P28482 1/20 0.33
XDH P47989 1/20 0.33
GCK P35557 1/20 0.33

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
SCHEMBL11803703 0.83 ALDH1A1 (0.65) MAPTALDH1A1POLBMCL1BCL2A1
SCHEMBL3848692 0.83 MAPT (0.65) MAPTALDH1A1POLBMCL1HTT
SCHEMBL10570644 0.82 ALDH1A1 (0.62) MAPTALDH1A1POLBMCL1HTT
SCHEMBL5381291 0.78 ALDH1A1 (0.59) MAPTALDH1A1POLBHTTMEN1
SCHEMBL31457297 0.77 MAPT (0.57) MAPTALDH1A1POLBMCL1HTT
SCHEMBL8512890 0.73 CA12 (0.47) MAPTALDH1A1POLBMCL1BCL2A1
SCHEMBL29487551 0.73 CA12 (0.47) MAPTALDH1A1POLBMCL1BCL2A1
SCHEMBL11375649 0.73 ALDH1A1 (0.53) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL237448 0.72 ALDH1A1 (0.50) MAPTALDH1A1POLBCA2HTT
SCHEMBL11835307 0.72 MCL1 (0.38) MAPTALDH1A1POLBMCL1BCL2A1

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-5106943-A Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed