SCHEMBL6179736

SCHEMBL6179736

Cc1nc2ccc(N(C=O)C(=O)Nc3cccc(Cl)c3)cc2nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.47
MEN1 O00255 10/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5487253 0.87 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL5494434 0.84 NPC1 (0.46) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL5494637 0.84 TP53 (0.52) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL5778894 0.81 RAB9A (0.47) KMT2AMEN1HSP90AA1ALDH1A1LMNA
SCHEMBL5778804 0.81 RAB9A (0.47) KMT2AMEN1HSP90AA1ALDH1A1LMNA
SCHEMBL5494106 0.74 NPC1 (0.59) KMT2AMEN1HSP90AA1ALDH1A1LMNA
SCHEMBL5781867 0.74 RAB9A (0.61) KMT2AMEN1HSP90AA1LMNARAB9A
SCHEMBL7079006 0.73 MEN1 (0.45) KMT2AMEN1HSP90AA1ALDH1A1LMNA
SCHEMBL27532202 0.71 CCR2 (0.57) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL5493967 0.68 TP53 (0.51) KMT2AMEN1HSP90AA1ALDH1A1LMNA

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-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed