SCHEMBL7129310

SCHEMBL7129310

O=C(O)Oc1cc2cc(Br)ccc2n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
CFTR P13569 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRC P12931 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL7129308 0.83 CCR2 (0.69) CCR2PTGS2
SCHEMBL7071931 0.83 CCR2 (0.72) CCR2SMN1; SMN2NPSR1HTT
SCHEMBL7074174 0.80 CCR2 (0.61) CCR2MEN1KMT2ACFTRALDH1A1
SCHEMBL8481856 0.78 NOD2 (0.55) CCR2MEN1KMT2APIK3R1PIK3CA
SCHEMBL7076382 0.78 CCR2 (0.51) CCR2MEN1KMT2AALDH1A1MAPT
SCHEMBL8483705 0.77 CCR2 (0.51) CCR2CFTRSRCPTGS2
SCHEMBL8131716 0.75 MAPT (0.50) CCR2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5681505 0.75 CCR2 (0.53) CCR2ALDH1A1KDM4E
SCHEMBL7077284 0.75 CCR2 (0.48) CCR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6177863 0.75 CCR2 (0.43) CCR2MEN1KMT2AALDH1A1SMN1; SMN2

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-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed