SCHEMBL6901048

SCHEMBL6901048

C1=C(c2ccccn2)C([Zr]C2C(c3ccccn3)=Cc3c(-c4cccc5ccccc45)cccc32)c2cccc(-c3cccc4ccccc34)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HSD17B10 Q99714 4/20 0.46
TP53 P04637 4/20 0.46
MAPK1 P28482 4/20 0.46
NPC1 O15118 3/20 0.46
TGFBR1 P36897 2/20 0.41
HTR2C P28335 2/20 0.39
DCTPP1 Q9H773 1/20 0.38
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL6899180 0.83 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6895367 0.83 TGFBR1 (0.38) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6901138 0.82 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6902284 0.82 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6903610 0.79 PKM (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6903067 0.77 NPC1 (0.34) KDM4EMAPTSMN1; SMN2NPC1HTR2C
SCHEMBL6901820 0.77 PKM (0.32) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7592887 0.77 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6902406 0.76 TGFBR1 (0.39) MAPTTP53NPC1TGFBR1GAA
SCHEMBL6900002 0.76 TRPV1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed