SCHEMBL6904337

SCHEMBL6904337

Cc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Zr]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(C)cc4)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6897529 0.93 CHRM2 (0.37) NPC1RAB9AKMT2ACHRM2CHRM4
SCHEMBL6903486 0.88 NQO2 (0.36) NPC1RAB9AHPGDSMN1; SMN2CHRM2
SCHEMBL6904300 0.88 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902435 0.88 TDP1 (0.36) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL6895374 0.87 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898596 0.87 NQO2 (0.36) HPGDPOLBCHRM2CHRM4CHRM5
SCHEMBL6898578 0.86 ALDH1A1 (0.37) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL6903400 0.85 EIF4A1 (0.32) NPC1RAB9AHPGDSMN1; SMN2CHRM2
SCHEMBL6902351 0.84 EIF4A1 (0.38)
SCHEMBL6902643 0.84 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3

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