SCHEMBL7943317

SCHEMBL7943317

C1=C(N2CCCC2)c2ccccc2C1[Zr]C1C=C(N2CCCC2)c2ccccc21.C[Si](C)(C)C(=O)N[InH]NC(=O)[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
POLB P06746 1/20 0.30
PSMD14 O00487 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
SCHEMBL7638394 0.91 KMT2A (0.32) MAPT
SCHEMBL7946696 0.87 TSHR (0.33) TSHRALDH1A1MAPTAPAF1TDP2
Hydrochloric Acid SCHEMBL7638320 0.83 TSHR (0.33) TSHRALDH1A1MAPT
SCHEMBL7638544 0.79 KMT2A (0.32) MAPT
SCHEMBL7943304 0.78 APAF1 (0.33) TSHRALDH1A1MAPTAPAF1TDP2
Hydrochloric Acid SCHEMBL7633238 0.78 APAF1 (0.37) TSHRALDH1A1MAPTAPAF1TDP2
SCHEMBL7935716 0.73 APAF1 (0.33) TSHRALDH1A1MAPTAPAF1TDP2
SCHEMBL7946701 0.73 TSHR (0.34) TSHRALDH1A1MAPTAPAF1TDP2
SCHEMBL7943322 0.73 TSHR (0.34) TSHRALDH1A1MAPTAPAF1TDP2
SCHEMBL7634428 0.71 ALDH1A1 (0.34) TSHRALDH1A1MAPTAPAF1TDP2

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