SCHEMBL8675208

SCHEMBL8675208

CCCCC1=Cc2c(-c3cccc4cccnc34)cccc2C1[Zr](Cl)(Cl)(C1C(CCCC)=Cc2c(-c3cccc4cccnc34)cccc21)[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31
CCR1 P32246 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
MMP13 P45452 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL8677348 0.91 P2RX7 (0.32) P2RX7
SCHEMBL8675789 0.89 P2RX7 (0.34) TSHRKDM4EGMNNLMNATP53
SCHEMBL5951880 0.84 CYP1A2 (0.33) CYP2D6
Hydrochloric Acid SCHEMBL8675210 0.84 TSHR (0.33) TSHRKDM4EGMNNLMNATP53
SCHEMBL141781 0.84 CNR1 (0.34) ALOX15
SCHEMBL5890481 0.83 CNR1 (0.33) ALOX15
SCHEMBL8674091 0.82 METAP2 (0.34) TSHRTRPV1HTR2AHTR2CHTR2B
SCHEMBL5890959 0.81 BCHE (0.30)
SCHEMBL8677011 0.81 CCR1 (0.34) TSHRKDM4EGMNNLMNATP53
SCHEMBL141430 0.81 CNR1 (0.38) ALOX15

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