SCHEMBL6904355

SCHEMBL6904355

[Li]C1([Si](C)(C)NC(C)(C)C)C=C(N2CCCCC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
APAF1 O14727 3/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
KLF5 Q13887 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
SCHEMBL6749222 0.99 PDK2 (0.32) PDK2APAF1TDP2NSD2HKDC1
SCHEMBL6911049 0.81 APAF1 (0.32) PDK2APAF1TDP2NSD2HKDC1
SCHEMBL7034169 0.81 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL6908963 0.79 HTT (0.36) ALDH1A1MAPTHTT
SCHEMBL27454709 0.77 ACHE (0.37) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6909658 0.73 PDK2 (0.31) PDK2
SCHEMBL6908340 0.73 PDK2 (0.32) PDK2
SCHEMBL6909966 0.68 LMNA (0.33) APAF1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27455380 0.67 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL6910204 0.66 APAF1 (0.33) PDK2APAF1ALDH1A1MAPTSMN1; SMN2

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-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US disclosed