SCHEMBL20787423

SCHEMBL20787423

CC(C)Oc1c(N)ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c1N=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.43
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ XDH P47989 1/20 0.35

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
SCHEMBL20764507 0.86 STAT3 (0.45) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL31311112 0.79 MAPT (0.41) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL20764545 0.73 STAT3 (0.39) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL31311063 0.70 SMN1; SMN2 (0.42) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL22440689 0.69 STAT3 (0.57) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL22440673 0.69 STAT3 (0.57) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL20764555 0.68 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23666325 0.68 STAT3 (0.56) STAT3LMNAALDH1A1NPC1RAB9A
SCHEMBL7555335 0.67 EP300 (0.46) STAT3ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL27257077 0.66 STAT3 (0.54) STAT3LMNAALDH1A1NPC1RAB9A

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-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
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