SCHEMBL25199043

SCHEMBL25199043

N#Cc1ccc(COc2cccc(-c3n[nH]cc3-c3ccncc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
SMPD1 P17405 1/20 0.44
MAOB P27338 1/20 0.44
CYP11B2 P19099 3/20 0.43
CYP19A1 P11511 1/20 0.43
EGFR P00533 1/20 0.41
PDE4B Q07343 1/20 0.41
KDM1A O60341 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
GSTP1 P09211 1/20 0.40
NAAA Q02083 1/20 0.40
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
CHEK1 O14757 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
LRRK2 Q5S007 1/20 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
SCHEMBL30392297 1.00 CYP11B1 (0.54) CYP11B1SMPD1MAOBCYP11B2CYP19A1
SCHEMBL25418869 0.87 EGFR (0.43) MAOBEGFRPDE4BGSTP1ROCK2
SCHEMBL31481576 0.87 EGFR (0.43) MAOBEGFRPDE4BGSTP1ROCK2
SCHEMBL25419956 0.86 MEN1 (0.51) CYP11B1MAOBCYP11B2EGFRPDE4B
SCHEMBL31481571 0.86 MEN1 (0.51) CYP11B1MAOBCYP11B2EGFRPDE4B
SCHEMBL25196648 0.85 CYP11B1 (0.43) CYP11B1SMPD1MAOBCYP11B2NAAA
SCHEMBL30390788 0.85 CYP11B1 (0.43) CYP11B1SMPD1MAOBCYP11B2NAAA
SCHEMBL17714236 0.83 CYP11B1 (0.68) CYP11B1SMPD1MAOBCYP11B2PDE4B
SCHEMBL25212479 0.83 EGFR (0.48) CYP11B1MAOBEGFRSPHK2LRRK2
SCHEMBL30392244 0.83 EGFR (0.48) CYP11B1MAOBEGFRSPHK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO claimed
WO-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO disclosed
WO-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO disclosed