SCHEMBL27565366

SCHEMBL27565366

CN(C)c1ccc(C(N)=O)cc1.O=C(O)c1cc2ccccc2n1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.54
PLA2G10 O15496 1/20 0.51
IDO1 P14902 1/20 0.46
F10 P00742 7/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL7423858 0.85 CCR2 (0.74) CCR2PLA2G10IDO1F10ALDH1A1
SCHEMBL7420717 0.80 F10 (0.53) IDO1F10ALDH1A1POLBKMT2A
SCHEMBL3963187 0.76 PLA2G10 (0.83) CCR2PLA2G10F10GPR35
SCHEMBL5378162 0.73 CCR2 (1.00) CCR2PLA2G10F10ALDH1A1CYP1A2
SCHEMBL1647858 0.73 PLA2G10 (0.50) CCR2PLA2G10IDO1F10ALDH1A1
SCHEMBL7424288 0.72 NOD2 (0.69) CCR2IDO1F10ALDH1A1POLB
SCHEMBL4600132 0.72 CCR2 (0.61) CCR2IDO1F10ALDH1A1GPR35
SCHEMBL7809796 0.72 LMNA (0.52) CCR2PLA2G10IDO1CNR2
SCHEMBL7803252 0.71 IDO1 (0.45) CCR2PLA2G10IDO1CNR2
SCHEMBL7812252 0.71 IDO1 (0.51) CCR2PLA2G10IDO1F10ALDH1A1

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
CN-1220681-C Indole derivatives as XA factor inhibitors AVENTIS MEDICINES DEUTSCHLAND (DE) 2005-09-28 CN disclosed
CN-1283186-A Indole derivatives as XA factor inhibitors AWENTIS MEDICINES DEUTSCHLAND (DE) 2001-02-07 CN disclosed