SCHEMBL7639489

SCHEMBL7639489

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL5854556 0.79 RET (0.31) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL7632821 0.77 SIGMAR1 (0.30) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL6393854 0.77 LMNA (0.32) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL5854463 0.76 SIGMAR1 (0.31) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL7640134 0.74 HTR6 (0.31)
SCHEMBL5853457 0.72 ALOX5 (0.36) MTNR1AMTNR1BMEN1CYP3A4MAPK1
SCHEMBL439955 0.71 HTR2A (0.35) SIGMAR1MEN1CYP3A4KMT2A
SCHEMBL7935696 0.71 LMNA (0.33) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL6555624 0.71 HTR6 (0.33) SIGMAR1CYP3A4
SCHEMBL3380394 0.70 HTR2A (0.35) SIGMAR1MEN1CYP3A4KMT2A

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-20020098973-A1 Bridged gallium or indium containing group 4 metal complexes CAMPBELL RICHARD E (US) 2002-07-25 US disclosed
WO-2001046201-A1 GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-06-28 WO disclosed