SCHEMBL7943304

SCHEMBL7943304

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7633935 0.91 NPC1 (0.32) MAPT
SCHEMBL7935716 0.88 APAF1 (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7633238 0.82 APAF1 (0.37) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7632839 0.81 APAF1 (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7636107 0.80 NPC1 (0.32) MAPT
SCHEMBL7943317 0.78 TSHR (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7638394 0.73 KMT2A (0.32) MAPT
SCHEMBL7946696 0.73 TSHR (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7632725 0.69 APAF1 (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7638544 0.69 KMT2A (0.32) MAPT

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