SCHEMBL10909596

SCHEMBL10909596

O=C1c2ccc(O)cc2C(=O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ POLB P06746 1/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL10913843 0.92 ESR1 (0.48) ALDH1A1POLBESR1ESR2KDM4E
SCHEMBL10909875 0.84 POLB (0.44) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL10909557 0.84 POLB (0.56) POLB
SCHEMBL10913065 0.83 MAPT (0.59) ALDH1A1HDAC7MAPTRAB9ASMN1; SMN2
SCHEMBL8091541 0.80 POLB (0.55) POLB
SCHEMBL10912020 0.79 ALDH1A1 (0.48) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL9631706 0.79 HDAC3 (0.59) ALDH1A1POLBESR1ESR2KDM4E
SCHEMBL10912457 0.77 RAB9A (0.43) ALDH1A1POLBMEN1KMT2AHDAC7
Dimethylamine SCHEMBL10912051 0.77 RPS6KA2 (0.49) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL10909819 0.76 KDM4E (0.73) ALDH1A1POLBESR1ESR2KDM4E

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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