SCHEMBL8674380

SCHEMBL8674380

CC1=Cc2c(-c3cnc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.33
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
TDP2 O95551 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
SCHEMBL8674706 0.94 PFKFB3 (0.35) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8674280 0.93 PFKFB3 (0.34) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8674300 0.85 PFKFB3 (0.33) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8679059 0.84 BRD4 (0.33) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8675330 0.83 PFKFB3 (0.32) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8679024 0.83 PARP10 (0.35) PFKFB3BRD4CREBBPPARP10PARP11
Hydrochloric Acid SCHEMBL8674282 0.83 PFKFB3 (0.35) PFKFB3BRD4CREBBPPARP10PARP11
Hydrochloric Acid SCHEMBL8674708 0.82 PFKFB3 (0.34) PFKFB3BRD4CREBBPPARP10PARP11
Hydrochloric Acid SCHEMBL8674382 0.82 PFKFB3 (0.33) PFKFB3BRD4CREBBPPARP10PARP11
SCHEMBL8674622 0.81 BRD4 (0.32) PFKFB3BRD4CREBBP

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
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed