Toluene

Toluene

SCHEMBL7034592

Cc1ccccc1.Cl[Si](Cl)(Cl)C1CC2C=CC1C2

nearest known ligand 0.38

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL200641 0.82 KDM4E (0.38) KDM4EALDH1A1LMNATDP1
SCHEMBL11528508 0.76 KDM4E (0.36) KDM4EALDH1A1TSHRLMNATDP1
SCHEMBL6701075 0.74 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL6750638 0.72 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL201645 0.70 KDM4E (0.32) KDM4EALDH1A1LMNATDP1
Toluene SCHEMBL27618261 0.70 KDM4E (0.46) KDM4EKMT2AALDH1A1TSHRLMNA
SCHEMBL6697436 0.69 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL6697304 0.69 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1TSHR
SCHEMBL296058 0.69 KDM4E (0.33) KDM4EKMT2AMEN1TSHR
SCHEMBL5425486 0.69 KMT2A (0.34) KDM4EKMT2AALDH1A1MEN1TSHR

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-1285006-A2 METHOD FOR THE PRODUCTION OF A CATALYST SYSTEM FOR THE POLYMERISATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
WO-2001077187-A2 METHOD FOR THE PRODUCTION OF A CATALYST SYSTEM FOR THE POLYMERISATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed