SCHEMBL10909686

SCHEMBL10909686

CC(C)(C)NCC(O)COc1ccc2c(c1)C(=O)N(CC(CO[N+](=O)[O-])O[N+](=O)[O-])C2=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ADRB2 P07550 5/20 0.40
▸ ADRB1 P08588 5/20 0.40
▸ ADRB3 P13945 5/20 0.40
▸ RPS6KA2 Q15349 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL10912024 0.88 ADRB2 (0.44) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL10912136 0.87 KMT2A (0.39) KMT2ACA2ADRB2ADRB1ADRB3
SCHEMBL10911697 0.85 MEN1 (0.45) KMT2AMEN1HTTL3MBTL1CYP2D6
SCHEMBL10911968 0.84 MEN1 (0.44) KMT2AMEN1HTTL3MBTL1CYP2D6
SCHEMBL10909692 0.83 KMT2A (0.36) KMT2AMEN1HTTRPS6KA2
SCHEMBL10912036 0.80 KMT2A (0.36) KMT2AMEN1HTTRPS6KA2
Diethylamine SCHEMBL10914532 0.79 RPS6KA2 (0.47) KMT2AMEN1L3MBTL1CYP2D6RPS6KA2
SCHEMBL10912149 0.79 KMT2A (0.35) KMT2ARPS6KA2
SCHEMBL10909696 0.78 POLB (0.35) KMT2AMEN1HTTRPS6KA2
SCHEMBL10914524 0.76 MAPT (0.48) KMT2AHTT

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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