SCHEMBL26464210

SCHEMBL26464210

Cc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ENPP3 O14638 1/20 0.41
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
XDH P47989 1/20 0.40
KMO O15229 2/20 0.39
PIN1 Q13526 1/20 0.39
NPY5R Q15761 1/20 0.39
CXCR2 P25025 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NR1I3 Q14994 1/20 0.38
RPA1 P27694 1/20 0.38
TYMP P19971 1/20 0.37
CFTR P13569 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3130583 0.85 CXCR2 (0.48) ADORA2AADORA1IDO1KMONPY5R
SCHEMBL2944949 0.83 MAPK13 (0.49) ADORA1IDO1KMONPY5RCXCR2
SCHEMBL31305411 0.83 MAPK13 (0.49) ADORA1IDO1KMONPY5RCXCR2
SCHEMBL15029191 0.82 IDO1 (0.47) ADORA2AADORA1IDO1METAP2XDH
SCHEMBL29662878 0.81 MAPK14 (0.53) ENPP3IDO1METAP2XDHPIN1
SCHEMBL17231794 0.81 RAB9A (0.49) ADORA2AADORA1ENPP3IDO1METAP2
SCHEMBL26467067 0.81 ACHE (0.48) IDO1METAP2XDHPIN1NPC1
SCHEMBL31659868 0.81 ACHE (0.48) IDO1METAP2XDHPIN1NPC1
SCHEMBL8365173 0.78 AHR (0.61) ENPP3RAB9ARPA1
SCHEMBL28404729 0.77 NPY5R (0.59) ADORA2ANPY5RNPC1RAB9A

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
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed