SCHEMBL5802633

SCHEMBL5802633

O=C(NC(=O)c1ccc2c(c1)C(=O)CO2)Nc1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.69
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
MAOB P27338 2/20 0.55
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
GRM5 P41594 1/20 0.47
MAOA P21397 1/20 0.47
TP53 P04637 1/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL5802844 0.85 CCR2 (0.68) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5783317 0.79 CCR2 (0.70) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5489790 0.72 CCR2 (0.64) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5495759 0.72 CCR2 (0.61) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5782958 0.71 RAB9A (0.85) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5487573 0.71 KMT2A (0.72) CCR2RAB9ANPC1MAPTMEN1
SCHEMBL6180069 0.70 CCR2 (0.64) CCR2RAB9ANPC1MAOBMAPT
SCHEMBL5780599 0.70 RAB9A (0.75) CCR2RAB9ANPC1MAPTMEN1
SCHEMBL18157490 0.69 KDM4E (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1429912 0.69 NPC1 (0.46) RAB9ANPC1MAPTMEN1KMT2A

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