SCHEMBL7935696

SCHEMBL7935696

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
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
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
SCHEMBL7935689 0.78 SIGMAR1 (0.32) LMNASMN1; SMN2SIGMAR1MTNR1AMTNR1B
SCHEMBL7935606 0.73 HTR6 (0.33) SIGMAR1
SCHEMBL7639489 0.71 SIGMAR1 (0.30) SIGMAR1MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL7944845 0.69 TSHR (0.36) LMNASMN1; SMN2MTNR1AMTNR1BCYP3A4
SCHEMBL4360299 0.68 HTR2A (0.38) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1
SCHEMBL6682538 0.68 HTR2A (0.38) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1
SCHEMBL8376820 0.65 KDM4E (0.37) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1
SCHEMBL6763868 0.65 HTR2A (0.38) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1
SCHEMBL2136144 0.65 HTR2A (0.38) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1
SCHEMBL29758162 0.65 HTR2A (0.38) LMNASMN1; SMN2SIGMAR1CYP3A4MEN1

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