SCHEMBL22051345

SCHEMBL22051345

CC(C)Cc1cc(S(=O)(=O)N2CCCC2)cn(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OCCc2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KIFC1 Q9BW19 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL22050504 0.86 GAA (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22051357 0.80 MAPT (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22051956 0.76 MAPT (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22050825 0.75 MAPT (0.50) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL24212087 0.72 GRIN2B (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22050495 0.71 GAA (0.44) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL21749683 0.71 GAA (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL23877961 0.71 GAA (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22050826 0.70 GAA (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22050836 0.70 KMT2A (0.42) KMT2AMEN1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — WO disclosed
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