SCHEMBL6903739

SCHEMBL6903739

C1=C([Zr]C2=Cc3c(-c4cccc5ccccc45)cccc3C2c2ccccn2)C(c2ccccn2)c2cccc(-c3cccc4ccccc34)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HTR2C P28335 2/20 0.34
DCTPP1 Q9H773 1/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL6897781 0.83 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6902718 0.82 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6902574 0.79 SYK (0.40) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6904106 0.77 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6900259 0.76 NPC1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6897517 0.76 TGFBR1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6899133 0.76 ALDH1A1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6902715 0.75 GPR88 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6901795 0.74 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6898677 0.74 ALDH1A1 (0.35) ALDH1A1MAPTNPC1RAB9AKMT2A

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