SCHEMBL12530155

SCHEMBL12530155

C=Cc1ccc(C[n+]2ccc(/C=C/c3cc[n+](Cc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.51
▸ KDM2A Q9Y2K7 2/20 0.51
▸ CHKA P35790 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL12530148 0.89 KDM4E (0.58) KDM4AKDM2ACHKAKDM4EALDH1A1
SCHEMBL27811786 0.85 KDM4A (0.49) KDM4AKDM2ACHKAKDM4EALDH1A1
SCHEMBL31598838 0.80 ALDH1A1 (0.50) KDM4AKDM2ACHKAALDH1A1CA1
SCHEMBL24038376 0.79 CHKA (0.49) KDM4AKDM2ACHKAKDM4EALDH1A1
SCHEMBL12910774 0.79 CHKA (0.49) KDM4AKDM2ACHKAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL25439461 0.78 CHKA (0.47) KDM4AKDM2ACHKAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL25439458 0.78 CHKA (0.47) KDM4AKDM2ACHKAKDM4EALDH1A1
Bromide SCHEMBL9397400 0.77 CHKA (0.43) KDM4AKDM2ACHKAALDH1A1HDAC8
SCHEMBL3944502 0.75 CHKA (0.52) CHKAKDM4EALDH1A1RAB9ACA1
SCHEMBL17686001 0.75 BCHE (0.48) KDM4AKDM2ACHKAALDH1A1CA1

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
US-20170184574-A1 FLUORESCENCE METHOD FOR SENSING CHLORINATED DISACCHARIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 — — US disclosed
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 — — US disclosed
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