SCHEMBL8675330

SCHEMBL8675330

CCC1=Cc2c(-c3cnc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
TDP2 O95551 1/20 0.31
HSP90AA1 P07900 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL8674622 0.92 BRD4 (0.32) PFKFB3BRD4CREBBP
SCHEMBL8674280 0.90 PFKFB3 (0.34) PFKFB3BRD4CREBBPTDP2PARP10
SCHEMBL8679059 0.89 BRD4 (0.33) PFKFB3BRD4CREBBPTDP2PARP10
SCHEMBL8674300 0.89 PFKFB3 (0.33) PFKFB3BRD4CREBBPTDP2PARP10
SCHEMBL141488 0.88
Hydrochloric Acid SCHEMBL8675333 0.87 BRD4 (0.33) PFKFB3BRD4CREBBPTDP2HSP90AA1
SCHEMBL140052 0.85 PNMT (0.30)
SCHEMBL144313 0.84 HTR1A (0.31)
SCHEMBL141837 0.84
SCHEMBL8674380 0.83 PFKFB3 (0.33) PFKFB3BRD4CREBBPTDP2PARP10

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