SCHEMBL10909796

SCHEMBL10909796

O=C1c2cccc(OCCN3CCCC3)c2C(=O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ LTA4H P09960 3/20 0.42
▸ PTGS2 P35354 3/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41

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
SCHEMBL10911891 0.99 KDM4E (0.44) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10947007 0.97 KMT2A (0.44) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10912179 0.97 KMT2A (0.45) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10912841 0.94 RAB9A (0.47) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10912510 0.93 KDM4E (0.45) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10912207 0.93 RAB9A (0.46) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL10914105 0.91 CYP2D6 (0.51) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL10912079 0.85 RAB9A (0.45) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL10909868 0.82 ALDH1A1 (0.46) KDM4EMEN1KMT2ARAB9APOLB
Dimethylamine SCHEMBL10913743 0.82 RAB9A (0.41) MEN1KMT2ARAB9AHTTPOLB

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
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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