SCHEMBL11148179

SCHEMBL11148179

Cn1nc(C(=O)NCCO)c(=O)c2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 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
SCHEMBL11154823 0.88 POLB (0.46) POLBL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL11149155 0.83 POLB (0.42) POLBL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL11152267 0.77 LMNA (0.41) POLBL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL11148775 0.73 ALDH1A1 (0.52) POLBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11154687 0.73 LMNA (0.46) POLBALDH1A1LMNANPC1HPGD
SCHEMBL11148605 0.71 ALDH1A1 (0.55) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL11146570 0.70 LMNA (0.41) POLBALDH1A1LMNAMAPTHTT
SCHEMBL11154817 0.67 MAPK8 (0.47) ALDH1A1LMNAMAPTCNR2KDM4E
SCHEMBL2343009 0.67 ALDH1A1 (0.70) POLBALDH1A1LMNAMAPTHSP90AA1
SCHEMBL27249840 0.67 HTR3A (0.63) POLBL3MBTL1ALDH1A1LMNASMN1; SMN2

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-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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