SCHEMBL6914993

SCHEMBL6914993

N#Cc1ccccc1C(=O)[O-].N#Cc1ccccc1C(=O)[O-].N#Cc1ccccc1C(=O)[O-].[In+3]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
PPIA P62937 1/20 0.42
POLB P06746 2/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.39
HSD11B1 P28845 1/20 0.38
KAT6A Q92794 1/20 0.38
MAPT P10636 1/20 0.38
IKBKB O14920 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6913171 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL6913801 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL6917212 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
Zinc Ion SCHEMBL6913390 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL6908398 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL6918561 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL6918557 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDPPIAPOLB
SCHEMBL23026097 0.81 PPIA (0.43) KDM4EALDH1A1PPIAPOLBCA1
SCHEMBL1340299 0.81 ALDH1A1 (0.48) KDM4EALDH1A1PPIAPOLBCA1
SCHEMBL2913776 0.80 ALDH1A1 (0.45) KDM4EALDH1A1PPIAPOLBCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed