SCHEMBL5489203

SCHEMBL5489203

CCC(Oc1ccc(NC(=O)NC(=O)c2ccc3c(c2)NCCN3)cc1Cl)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 5/20 0.40
CCR2 P41597 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RORC P51449 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38

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
SCHEMBL5488744 0.83 RAB9A (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5489215 0.80 RORC (0.43) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5489352 0.77 CCR2 (0.61) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5492511 0.76 KMT2A (0.49) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6180094 0.75 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5492650 0.74 ALDH1A1 (0.49) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5495759 0.72 CCR2 (0.61) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5492667 0.72 CCR2 (0.64) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5492637 0.72 CCR2 (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5487911 0.72 KDR (0.57) MAPTRAB9ALMNAGAA

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