SCHEMBL16257566

SCHEMBL16257566

Cc1c(Nc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
DHODH Q02127 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CSNK2A1 P68400 1/20 0.38
CDK2 P24941 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPY5R Q15761 1/20 0.37
TP53 P04637 2/20 0.37
CCR2 P41597 2/20 0.37
CCR5 P51681 2/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL15033751 0.84 KMO (0.45) MEN1KMT2AKMOSMN1; SMN2MAPT
SCHEMBL16257510 0.82 RAPGEF4 (0.41) SMN1; SMN2MAPTDHODHNPSR1KDM4E
SCHEMBL15083655 0.81 CCR2 (0.51) MEN1KMT2AKMOSMN1; SMN2MAPT
SCHEMBL15033718 0.80 MAPT (0.43) MEN1KMT2AKMOSMN1; SMN2MAPT
SCHEMBL15033697 0.78 ADORA3 (0.42) MEN1KMT2AKMOSMN1; SMN2MAPT
SCHEMBL15033668 0.76 KMO (0.58) MEN1KMT2AKMOSMN1; SMN2HTT
SCHEMBL16257557 0.76 CCR2 (0.60) CCR2CCR5EPHX2
SCHEMBL18924957 0.73 PDE4A (0.38) MEN1KMT2AL3MBTL1MAPTCDK2
SCHEMBL16257590 0.73 KIT (0.50) KMODHODHCSNK2A1
SCHEMBL15119870 0.71 PTPRC (0.42) MEN1KMT2AKMOHTTCCR2

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
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed