SCHEMBL6897517

SCHEMBL6897517

CC(C)c1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(C(C)C)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL6904488 0.89 KMT2A (0.34) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6902574 0.87 SYK (0.40) TGFBR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6897781 0.87 ALDH1A1 (0.42) TGFBR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6904106 0.85 ALDH1A1 (0.37) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6898055 0.84 NPC1 (0.36) TGFBR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6899133 0.84 ALDH1A1 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6900259 0.84 NPC1 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6895381 0.83 DHFR (0.39) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6902715 0.82 GPR88 (0.38) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6898070 0.81 ALDH1A1 (0.35) NPC1ALDH1A1MAPTRAB9AKMT2A

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