SCHEMBL7440527

SCHEMBL7440527

CCCCc1ccc(C(=O)c2[nH]c(=O)[nH]c2CC)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PDE3B Q13370 2/20 0.49
▸ PDE3A Q14432 2/20 0.49

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
SCHEMBL7444308 0.89 PDE3B (0.55) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL11874297 0.80 NFKB1 (0.78) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL10638996 0.79 PDE3B (0.56) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL10632498 0.77 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10639116 0.76 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9787386 0.76 PDE3B (0.39) NFKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL10502059 0.75 POLB (0.46) ALDH1A1L3MBTL1KDM4ELMNAALOX15
SCHEMBL10638881 0.75 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7440629 0.74 PDE3B (0.59) ALDH1A1KMT2APDE3BPDE3APDE4A
Fusaric Acid SCHEMBL178006 0.72 ALDH1A1 (1.00) NFKB1ALDH1A1L3MBTL1KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 — — US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 — — EP disclosed
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