SCHEMBL11725228

SCHEMBL11725228

CCn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCN1CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ HRH1 P35367 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ KDR P35968 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
SCHEMBL11725269 0.91 KDM4E (0.39) KDM4EHRH1ALDH1A1
SCHEMBL11726427 0.86 KDM4E (0.42) KDM4EALDH1A1KDR
SCHEMBL11723581 0.86 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL11723912 0.85 HRH1 (0.48) KDM4EHRH1ALDH1A1EGFRERBB2
SCHEMBL11729078 0.85 KDM4E (0.53) KDM4EHRH1ALDH1A1
SCHEMBL11720882 0.85 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL11723365 0.85 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL11724257 0.84 LMNA (0.54) KDM4EALDH1A1
SCHEMBL11721756 0.83 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL11722066 0.77 LMNA (0.43) KDM4EALDH1A1

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
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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