SCHEMBL5802844

SCHEMBL5802844

O=C(NC(=O)c1ccc2c(c1)C(=O)CO2)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.68
NPC1 O15118 8/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
RAB9A P51151 6/20 0.54
MAOB P27338 5/20 0.54
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 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
SCHEMBL5802633 0.85 CCR2 (0.69) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL7758381 0.80 MEN1 (0.75) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL5779906 0.78 CCR2 (0.69) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL14364237 0.75 CCR2 (0.64) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL6180574 0.73 CCR2 (0.68) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL5493182 0.73 CCR2 (0.68) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL1429912 0.72 NPC1 (0.46) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL5491086 0.72 CCR2 (0.67) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL5493355 0.72 CCR2 (0.63) CCR2NPC1MEN1KMT2ARAB9A
SCHEMBL5489348 0.71 CCR2 (0.69) CCR2NPC1MEN1KMT2ARAB9A

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-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed