SCHEMBL9952565

SCHEMBL9952565

CC(=Nc1c(C)cc(C)cc1F)c1cccc(C(C)=Nc2c(C)cc(C)cc2F)n1.[Fe]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ATM Q13315 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
Hydrochloric Acid SCHEMBL14632714 0.99 HSP90AA1 (0.31) HSP90AA1
SCHEMBL2230000 0.98 HSP90AA1 (0.32) HSP90AA1MEN1KMT2AATM
SCHEMBL2229996 0.98 HSP90AA1 (0.32) HSP90AA1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL14632715 0.96 PAX8 (0.32) HSP90AA1
Hydrochloric Acid SCHEMBL16208968 0.96 PAX8 (0.32) HSP90AA1
SCHEMBL5587833 0.89 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL2520309 0.88 HSP90AA1 (0.34) HSP90AA1MEN1KMT2AATM
SCHEMBL453478 0.88 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AATM
SCHEMBL453477 0.88 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AATM
SCHEMBL5588611 0.86 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655445-A1 PROCESS FOR CONTROLLING THE RELATIVE ACTIVITY OF ACTIVE CENTERS OF CATALYST SYSTEMS COMPRISING AT LEAST ONE LATE TRANSITION METAL CATALYST COMPONENT AND AT LEAST ONE ZIEGLER CATALYST COMPONENT Basell Polyolefine GmbH (DE) 2013-10-30 EP disclosed
WO-2012084774-A1 PROCESS FOR CONTROLLING THE RELATIVE ACTIVITY OF ACTIVE CENTERS OF CATALYST SYSTEMS COMPRISING AT LEAST ONE LATE TRANSITION METAL CATALYST COMPONENT AND AT LEAST ONE ZIEGLER CATALYST COMPONENT BASELL POLYOLEFINE GMBH (DE) 2012-06-28 WO disclosed