SCHEMBL8675789

SCHEMBL8675789

CCC1=Cc2c(-c3cccc4cccnc34)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3cccc4cccnc34)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MMP2 P08253 2/20 0.33
TSHR P16473 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MMP8 P22894 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
SCHEMBL8679141 0.90 P2RX7 (0.35) P2RX7
SCHEMBL8675208 0.89 TSHR (0.32) P2RX7CCR1CCR5CCR8LMNA
SCHEMBL8674351 0.86 P2RX7 (0.36) P2RX7CCR1CCR5CCR8LMNA
SCHEMBL5951675 0.86
SCHEMBL8677011 0.85 CCR1 (0.34) P2RX7CCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL8675792 0.83 CCR1 (0.34) P2RX7CCR1CCR5CCR8LMNA
SCHEMBL5953054 0.83 ADRA1A (0.32) HTR2CADRA1A
SCHEMBL8677348 0.81 P2RX7 (0.32) P2RX7
SCHEMBL8673516 0.81 METAP2 (0.38) P2RX7CCR1CCR5CCR8LMNA
SCHEMBL5952823 0.81 HTR1A (0.33) SMN1; SMN2KDM4EMAPTHTR2AHTR2C

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