SCHEMBL25145010

SCHEMBL25145010

COCc1ccc(Cn2c(C(N)=O)cc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.67
PLA2G10 O15496 1/20 0.59
F10 P00742 8/20 0.58
NOD2 Q9HC29 1/20 0.56
NOD1 Q9Y239 1/20 0.56
KMT2A Q03164 1/20 0.54
F2 P00734 1/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL1573798 0.85 PLA2G10 (0.78) CCR2PLA2G10F10NOD2NOD1
SCHEMBL28206476 0.80 CCR2 (0.64) CCR2PLA2G10F10NOD2NOD1
SCHEMBL30622530 0.79 HDAC3 (0.53) CCR2PLA2G10F10HDAC1
SCHEMBL20609049 0.79 HDAC3 (0.53) CCR2PLA2G10F10HDAC1
SCHEMBL29933820 0.79 HDAC6 (0.70) CCR2PLA2G10F10HDAC1HDAC2
SCHEMBL25145299 0.78 CCR2 (0.65) CCR2PLA2G10F10NOD2NOD1
SCHEMBL27636281 0.77 CCR2 (0.54) CCR2PLA2G10F10NOD2NOD1
SCHEMBL27636282 0.77 PLA2G10 (0.56) CCR2PLA2G10F10NOD2NOD1
SCHEMBL30229413 0.76 NOD2 (0.43) CCR2F10NOD2NOD1KMT2A
SCHEMBL20839563 0.76 NOD2 (0.43) CCR2F10NOD2NOD1KMT2A

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