SCHEMBL7090802

SCHEMBL7090802

OCCN1CCNc2ccc(Nc3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.45
KDM4E B2RXH2 1/20 0.44
IDH2 P48735 2/20 0.41
EGFR P00533 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 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
SCHEMBL7092878 0.84 KIF11 (0.46) KIF11KDM4EIDH2LMNAMAPT
SCHEMBL27529569 0.81 CCR2 (0.52) KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL8650953 0.68 MAPT (0.33) KDM4ELMNAMAPT
SCHEMBL1921482 0.68 KIF11 (0.70) KIF11IDH2MAPT
SCHEMBL394991 0.68 KIF11 (0.70) KIF11KDM4EIDH2LMNAMAPT
SCHEMBL20571662 0.67 KCNH2 (0.36) KDM4ELMNAMAPT
SCHEMBL9765217 0.65 KDM4E (0.51) KDM4ELMNAMAPT
SCHEMBL16411339 0.64 KIF11 (0.65) KIF11KDM4EIDH2MAPT
SCHEMBL8388841 0.64 SIGMAR1 (0.52) KDM4EMAPT
SCHEMBL1921505 0.64 KIF11 (0.64) KIF11IDH2MAPT

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