SCHEMBL6902406

SCHEMBL6902406

CC(C)c1ccc(-c2cccc3c2C=C(c2ccccn2)C3[Zr]C2C(c3ccccn3)=Cc3c(-c4ccc(C(C)C)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRK1 P41145 2/20 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
SCHEMBL6901735 0.89 ALDH1A1 (0.33) TGFBR1TDP1MEN1NPC1RAB9A
SCHEMBL6903610 0.87 PKM (0.40) TGFBR1TP53MAPTGAATDP1
SCHEMBL6895367 0.87 TGFBR1 (0.38) TGFBR1TP53MAPTTDP1CHRM2
SCHEMBL6903067 0.85 NPC1 (0.34) MAPTTDP1NPC1TSHRRAB9A
SCHEMBL6901820 0.85 PKM (0.32) TP53MAPTGAAMEN1NPC1
SCHEMBL6902565 0.84 CCR1 (0.32)
SCHEMBL6900002 0.84 TRPV1 (0.39) MAPTTNKS2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL6903521 0.84 TGFBR1 (0.39) TGFBR1TP53MAPTGAARXFP1
SCHEMBL6902284 0.83 KDM4E (0.43) TP53MAPTTDP1HTTMEN1
SCHEMBL6895444 0.82 CYP1A2 (0.34)

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