SCHEMBL28371844

SCHEMBL28371844

CC(C)COc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ EP300 Q09472 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ MYC P01106 2/20 0.42
▸ MAX P61244 2/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL22099924 1.00 MAPT (0.51) MAPTEP300HIF1ACD40CD40LG
SCHEMBL20764701 0.92 KMT2A (0.47) MAPTEP300HIF1ACD40CD40LG
SCHEMBL20764455 0.92 KMT2A (0.47) MAPTEP300HIF1ACD40CD40LG
SCHEMBL20764703 0.92 KMT2A (0.47) MAPTEP300HIF1ACD40CD40LG
SCHEMBL20764457 0.92 KMT2A (0.47) MAPTEP300HIF1ACD40CD40LG
SCHEMBL20764499 0.89 MAPT (0.47) MAPTCD40CD40LGKMT2ANPC1
SCHEMBL20764501 0.89 MAPT (0.47) MAPTCD40CD40LGKMT2ANPC1
SCHEMBL20764530 0.87 NR1H4 (0.38) MAPTEP300KMT2ANPC1RAB9A
SCHEMBL20764527 0.87 NR1H4 (0.38) MAPTEP300KMT2ANPC1RAB9A
SCHEMBL22076684 0.87 MAPT (0.48) MAPTCD40CD40LGKMT2ANPC1

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
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
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