SCHEMBL27636282

SCHEMBL27636282

COc1cccc(OC)c1Cn1c(C(N)=O)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.56
F10 P00742 5/20 0.55
CCR2 P41597 4/20 0.54
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
F2 P00734 1/20 0.44
PLA2G2A P14555 2/20 0.44
KMT2A Q03164 2/20 0.43
MCL1 Q07820 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27636281 0.87 CCR2 (0.54) PLA2G10F10CCR2NOD2NOD1
SCHEMBL13127957 0.81 CCR2 (0.59) PLA2G10F10CCR2NOD2NOD1
SCHEMBL25145010 0.77 CCR2 (0.67) PLA2G10F10CCR2NOD2NOD1
SCHEMBL1573798 0.76 PLA2G10 (0.78) PLA2G10F10CCR2NOD2NOD1
SCHEMBL30044340 0.76 CCR2 (0.58) PLA2G10F10CCR2NOD2NOD1
SCHEMBL13738783 0.76 CCR2 (0.58) PLA2G10F10CCR2NOD2NOD1
SCHEMBL7087440 0.76 KDM4E (0.55) PLA2G10F10CCR2KMT2AALDH1A1
SCHEMBL20609049 0.76 HDAC3 (0.53) PLA2G10F10CCR2MCL1ALDH1A1
SCHEMBL30622530 0.76 HDAC3 (0.53) PLA2G10F10CCR2MCL1ALDH1A1
SCHEMBL27597968 0.75 CCR2 (0.62) CCR2KMT2AMCL1ALDH1A1

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
CN-1723020-A Indole derivatives as beta-2 agonists PFIZER LTD (US) 2006-01-18 CN disclosed