SCHEMBL9725410

SCHEMBL9725410

Cc1ccc(NCCN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ KAT2B Q92831 3/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ RAD52 P43351 1/20 0.47

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
SCHEMBL7970570 0.92 KAT2B (0.71) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL8985656 0.88 KAT2B (0.64) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL1594797 0.85 ALDH1A1 (0.72) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL17678391 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL9759799 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL7746062 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL10249409 0.83 KAT2B (0.71) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL29959799 0.82 ALDH1A1 (0.63) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A
SCHEMBL29377506 0.82 KAT2B (0.69) ALDH1A1KAT2BSMN1; SMN2KMT2AMAPT
SCHEMBL14335786 0.82 ALDH1A1 (0.63) ALDH1A1NPSR1KAT2BSMN1; SMN2KMT2A

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
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 — — US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 — — EP disclosed
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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