SCHEMBL7633241

SCHEMBL7633241

Cl[Zr](Cl)(C1C=C(N2CCCC2)c2ccccc21)C1C=C(N2CCCC2)c2ccccc21.[InH3]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
ABCB1 P08183 1/20 0.31
TSHR P16473 1/20 0.31
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
MAP2K1 Q02750 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2915443 0.75 APAF1 (0.41) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27461952 0.73 APAF1 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6909170 0.73 APAF1 (0.44) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL23982311 0.73 DRD2 (0.44) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7943322 0.73 TSHR (0.34) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6910737 0.71 DRD2 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7946701 0.70 TSHR (0.34) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7633238 0.70 APAF1 (0.37) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27565464 0.70 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27450517 0.69 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1

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
US-20020098973-A1 Bridged gallium or indium containing group 4 metal complexes CAMPBELL RICHARD E (US) 2002-07-25 US disclosed