SCHEMBL14475780

SCHEMBL14475780

N#CC[n+]1ccc(-c2cc[n+](Cc3ccc(C[n+]4ccc(-c5ccncc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL13561372 0.90 CHKA (0.49) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL9999526 0.86 CHKA (0.52) CHKAKDM4EALDH1A1RAB9APABPC1
Bromide SCHEMBL15361681 0.84 CHKA (0.55) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL28910606 0.84 GSK3A (0.49) CHKAKDM4EALDH1A1RAB9APABPC1
Bromide SCHEMBL15361505 0.83 CHKA (0.58) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL9716874 0.78 MEN1 (0.38) CHKAKDM4EALDH1A1RAB9ALMNA
SCHEMBL23373046 0.78 KDM4E (0.67) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL1108062 0.78 ALDH1A1 (0.62) CHKAKDM4EALDH1A1RAB9ALMNA
SCHEMBL1108034 0.78 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9APABPC1
Hydrochloric Acid SCHEMBL7166354 0.78 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9APABPC1

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-2013003812-A2 ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-01-03 — — WO disclosed
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