SCHEMBL25145299

SCHEMBL25145299

CCc1ccc(Cn2c(C(N)=O)cc3ccccc32)cc1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.65
PLA2G10 O15496 1/20 0.60
F10 P00742 9/20 0.59
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
F2 P00734 1/20 0.45
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL28206476 0.81 CCR2 (0.64) CCR2PLA2G10F10NOD2NOD1
SCHEMBL1573798 0.80 PLA2G10 (0.78) CCR2PLA2G10F10NOD2NOD1
SCHEMBL25145010 0.78 CCR2 (0.67) CCR2PLA2G10F10NOD2NOD1
SCHEMBL30044340 0.77 CCR2 (0.58) CCR2PLA2G10F10NOD2NOD1
SCHEMBL13738783 0.77 CCR2 (0.58) CCR2PLA2G10F10NOD2NOD1
SCHEMBL13127957 0.77 CCR2 (0.59) CCR2PLA2G10F10NOD2NOD1
SCHEMBL3647083 0.76 PLA2G10 (0.71) CCR2PLA2G10F10F2
SCHEMBL27837248 0.76 CCR2 (0.46) CCR2PLA2G10F10KMT2A
SCHEMBL25145298 0.75 CCR2 (0.61) CCR2F10NOD2NOD1KMT2A
SCHEMBL29933820 0.74 HDAC6 (0.70) CCR2PLA2G10F10HDAC1HDAC2

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
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed