SCHEMBL29569814

SCHEMBL29569814

Brc1cccnc1.Brc1cccnc1.Cc1cc(C)c(N2[C]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL29534290 0.86 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
Hydrochloric Acid SCHEMBL1194185 0.72 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
SCHEMBL17267904 0.72 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL29659309 0.72 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
SCHEMBL712813 0.72 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
SCHEMBL283987 0.66 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4230065 0.65 KMT2A (0.31)
SCHEMBL31226864 0.63 MEN1 (0.32) ALDH1A1LMNA
SCHEMBL17502571 0.63 L3MBTL1 (0.32)
SCHEMBL4608209 0.62

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
EP-4157813-A1 PROCESSES FOR PRODUCING CYCLIC OLEFINS FROM POLYMERS AND RE-POLYMERIZATION THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-04-05 EP disclosed
EP-3737711-B1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2022-04-06 EP disclosed