SCHEMBL10913473

SCHEMBL10913473

CC(=O)NCCOc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.44
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL10909553 0.94 POLB (0.45) PDK2MTNR1AMTNR1BHSD17B10USP2
SCHEMBL10911817 0.90 LMNA (0.45) POLBLMNAPKMALDH1A1HPGD
SCHEMBL10912235 0.88 PKM (0.43) HSD17B10POLBLMNAPKMALDH1A1
SCHEMBL10914087 0.87 RAB9A (0.43) POLBLMNAALDH1A1HPGDRAB9A
SCHEMBL10911899 0.84 POLB (0.44) HSD17B10MAPK1POLBLMNAPKM
Dimethylamine SCHEMBL10909955 0.82 RAB9A (0.43) POLBLMNAALDH1A1HPGDRAB9A
SCHEMBL10912064 0.82 PDK2 (0.45) PDK2HSD17B10MAPK1POLBALDH1A1
Nitric Acid SCHEMBL10909522 0.82 POLB (0.43) HSD17B10MAPK1POLBLMNAALDH1A1
Dimethylamine SCHEMBL10909606 0.81 RPS6KA2 (0.51) HSD17B10MAPK1POLBLMNAALDH1A1
Diethylamine SCHEMBL10909563 0.81 RAB9A (0.42) POLBLMNAALDH1A1HPGDRAB9A

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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