SCHEMBL7935689

SCHEMBL7935689

CCC(=O)N[In](NC(=O)CC)[Zr](C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RET P07949 1/20 0.30
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7935696 0.78 LMNA (0.33) SIGMAR1MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL7945332 0.73 SIGMAR1 (0.31) SIGMAR1
SCHEMBL7632821 0.71 SIGMAR1 (0.30) SIGMAR1MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL6682538 0.68 HTR2A (0.38) SIGMAR1CYP3A4MEN1KMT2ARET
SCHEMBL4360299 0.68 HTR2A (0.38) SIGMAR1CYP3A4MEN1KMT2ARET
SCHEMBL8376820 0.65 KDM4E (0.37) SIGMAR1CYP3A4MEN1KMT2ALMNA
SCHEMBL6763868 0.65 HTR2A (0.38) SIGMAR1CYP3A4MEN1KMT2ARET
SCHEMBL2136144 0.65 HTR2A (0.38) SIGMAR1CYP3A4MEN1KMT2ARET
SCHEMBL29758162 0.65 HTR2A (0.38) SIGMAR1CYP3A4MEN1KMT2ARET
SCHEMBL4925283 0.65 HTR2A (0.38) SIGMAR1CYP3A4MEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046201-A1 GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-06-28 WO disclosed