SCHEMBL6904348

SCHEMBL6904348

Cc1ccc(C2=Cc3c(ccc4ccccc34)C2[Hf]C2C(c3ccc(C)cn3)=Cc3c2ccc2ccccc32)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.33
LTC4S Q16873 1/20 0.33
METAP2 P50579 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL6903206 0.82 KDM4E (0.39) CCR1CCR5CCR8KDM4ECYP3A4
Hydrochloric Acid SCHEMBL6898959 0.81 CCR1 (0.36) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL7113211 0.72 CCR1 (0.32) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL7119526 0.72 KDM4E (0.34) KDM4ECYP2A6MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL6905141 0.71 CYP11B1 (0.36) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL13134510 0.69 CYP11B1 (0.52) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL6902665 0.67 KDM4E (0.37) KDM4E
SCHEMBL6898634 0.65 KDM4E (0.36) KDM4EMAPT
SCHEMBL17589446 0.64 CCR1 (0.65) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL11992068 0.64 CYP2A6 (0.50) CCR1CCR5CCR8HDAC6KDM4E

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