SCHEMBL6902650

SCHEMBL6902650

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)cn2)C3[Zr]C2C(c3ccc(C)cn3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
BRS3 P32247 2/20 0.37
AGTR1 P30556 1/20 0.34
MAPT P10636 2/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
HSD11B1 P28845 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL6902056 0.96 RAB9A (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6902576 0.94 SMN1; SMN2 (0.33) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6901825 0.91 ALDH1A1 (0.34) RAB9ANPC1SMN1; SMN2BRS3MAPT
SCHEMBL6902522 0.87 CCR1 (0.37) RAB9ANPC1SMN1; SMN2TP53STAT3
SCHEMBL6902437 0.86 BRS3 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL6902605 0.85 RAB9A (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6903898 0.84 CYP3A4 (0.37) RAB9ANPC1SMN1; SMN2TP53STAT3
SCHEMBL6897160 0.82 CCR1 (0.33)
SCHEMBL6902617 0.82 ALOX5AP (0.30)
SCHEMBL6904267 0.82 CYP1A2 (0.36) RAB9ANPC1SMN1; SMN2BRS3MAPT

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