SCHEMBL7092878

SCHEMBL7092878

OCCN1CCN(CCO)c2cc(Nc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
IDH2 P48735 7/20 0.44
LMNA P02545 1/20 0.43
TEAD1 P28347 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
TEAD3 Q99594 1/20 0.42
P2RX3 P56373 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7090802 0.84 KIF11 (0.45) KIF11KDM4EMAPTIDH2LMNA
SCHEMBL5492399 0.76 DCUN1D1 (0.46) KDM4E
SCHEMBL1921482 0.72 KIF11 (0.70) KIF11MAPTIDH2
SCHEMBL394991 0.72 KIF11 (0.70) KIF11KDM4EMAPTIDH2LMNA
SCHEMBL7090723 0.69 KIF11 (0.49) KIF11MAPTIDH2
SCHEMBL16411339 0.69 KIF11 (0.65) KIF11KDM4EMAPTIDH2MEN1
SCHEMBL1921505 0.68 KIF11 (0.64) KIF11MAPTIDH2
SCHEMBL30575363 0.68 IDH2 (0.77) KIF11KDM4EMAPTIDH2MEN1
SCHEMBL7347670 0.68 IDH2 (0.77) KIF11KDM4EMAPTIDH2MEN1
SCHEMBL8102983 0.67 MAPT (0.53) MAPTIDH2LMNAMEN1KMT2A

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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO disclosed