SCHEMBL3866401

SCHEMBL3866401

CN(C)CC1=CCC(c2ccc3ccccc3c2C[Ti]NC(C)(C)C)=C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPY1R P25929 1/20 0.30
MAPK1 P28482 1/20 0.30
NPY2R P49146 1/20 0.30

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
Hydrochloric Acid SCHEMBL3258492 0.99 KDM4E (0.36) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL3190309 0.87 KDM4E (0.39) KDM4EMAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL3259711 0.85 KDM4E (0.36) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL3862812 0.84 KDM4E (0.34) KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3263814 0.83 KDM4E (0.34) KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3260920 0.82
Hydrochloric Acid SCHEMBL3260042 0.81 KDM4E (0.33) KDM4EMAPTTDP1
SCHEMBL3213391 0.81 KDM4E (0.46) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL3866398 0.81 KDM4E (0.39) KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3258491 0.81 KDM4E (0.39) KDM4EMAPTTDP1

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-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed