SCHEMBL11725269

SCHEMBL11725269

Cn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCN1CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL11725228 0.91 KDM4E (0.40) KDM4EALDH1A1HRH1
SCHEMBL11722066 0.86 LMNA (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL11724229 0.85 ALDH1A1 (0.49) KDM4EALDH1A1LMNA
SCHEMBL11723511 0.85 HRH1 (0.47) ALDH1A1LMNAHRH1
SCHEMBL11717303 0.84 ALDH1A1 (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL11723851 0.84 ALDH1A1 (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL11722753 0.83 LMNA (0.56) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL11724092 0.82 ALDH1A1 (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL11723336 0.81 LMNA (0.50) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL11726427 0.77 KDM4E (0.42) KDM4EALDH1A1MAPTLMNAMEN1

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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