SCHEMBL14364232

SCHEMBL14364232

O=C(NC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(I)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.64
NPC1 O15118 9/20 0.59
RAB9A P51151 8/20 0.59
MAOB P27338 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
PKM P14618 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TP53 P04637 3/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL6180069 0.85 CCR2 (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5493789 0.84 CCR2 (0.63) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5493777 0.83 CCR2 (0.65) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5495180 0.82 NPC1 (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL6180924 0.80 KMT2A (0.65) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5493371 0.79 KMT2A (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5780599 0.78 RAB9A (0.75) CCR2NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5493367 0.78 MAOB (0.59) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5455627 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5489348 0.76 CCR2 (0.69) CCR2NPC1RAB9AMAOBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed