Cicletanine

Cicletanine

SCHEMBL6479989

Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1.O=S(=O)(O)O

nearest known ligand 0.35

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Cicletanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RX3 P56373 1/20 0.35
ALDH1A1 P00352 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FTO Q9C0B1 1/20 0.32
MAPK1 P28482 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
Cicletanine SCHEMBL6060344 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL637073 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL637385 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL16859315 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL49794 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL29915570 0.94 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL29633447 0.92 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL387011 0.92 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL1649704 0.91 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL3798183 0.81 KDM4E (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6

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
WO-2005009446-A1 COMBINATION THERAPIES FOR TREATMENT OF HYPERTENSION AND COMPLICATIONS IN PATIENTS WITH DIABETES OR METABOLIC SYNDROME COTHERIX, INC. (US) 2005-02-03 WO disclosed