SCHEMBL7633864

SCHEMBL7633864

Cn1c2c(c3ccccc31)-c1ccccc1C2[Zr](C)(C)(=[SiH2])C1c2ccccc2-c2c1n(C)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
NTRK1 P04629 2/20 0.36
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
Hydrochloric Acid SCHEMBL7126367 0.99 GPR3 (0.38) GPR3NTRK1CDC25ACDC25CHSP90AA1
SCHEMBL7632803 0.85 KDM4E (0.41) KDM4ELMNAALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL7128813 0.83 L3MBTL1 (0.40) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL7634329 0.82 DNMT1 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL7128370 0.81 DNMT1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL7116309 0.77 NTRK1 (0.38) GPR3NTRK1HSD17B10LMNAALDH1A1
SCHEMBL7635165 0.77
Hydrochloric Acid SCHEMBL7120799 0.76
SCHEMBL7638144 0.76 GPR3 (0.41) GPR3NTRK1CDC25ACDC25CHSP90AA1
SCHEMBL7124307 0.76 GPR3 (0.41) GPR3NTRK1CDC25ACDC25CHSP90AA1

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-6451724-B1 BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-17 US disclosed