SCHEMBL17721591

SCHEMBL17721591

CN1CCCC1CCNc1nc(-c2ccc(N3CCCC3)cc2)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CAMK2D Q13557 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ TERT O14746 1/20 0.36
▸ ACKR3 P25106 2/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34

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
SCHEMBL16928032 0.90 CAMK2D (0.44) ACP1NMT1HRH2HRH1HRH3
SCHEMBL19873467 0.90 ACP1 (0.40) ACP1NMT1HRH2HRH1HRH3
SCHEMBL16928575 0.90 KDM1A (0.45) ACP1NMT1HRH2HRH1HRH3
SCHEMBL16928309 0.89 ACP1 (0.47) ACP1NMT1HRH2HRH1HRH3
SCHEMBL16928348 0.89 CHRM3 (0.39) ACP1NMT1HRH2HRH1HRH3
SCHEMBL16928011 0.89 ACP1 (0.48) ACP1NMT1HRH2HRH1HRH3
SCHEMBL16928030 0.88 CHRM3 (0.42) ACP1NMT1HRH2HRH1HRH3
SCHEMBL17721587 0.87 ACP1 (0.38) ACP1NMT1HRH2HRH1HRH3
SCHEMBL17721574 0.86 PTGS2 (0.39) ACP1NMT1HRH2HRH1HRH3
SCHEMBL19873462 0.85 CAMK2D (0.48) ACP1NMT1HRH2HRH1HRH3

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
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP claimed
US-9334246-B2 Substituted triazines for malaria treatment and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2016-05-10 — — US claimed
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP disclosed
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