SCHEMBL10909793

SCHEMBL10909793

O=C1c2cccc(OCC(O)CO[N+](=O)[O-])c2C(=O)N1CCO[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ ATM Q13315 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LDHA P00338 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 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
SCHEMBL10913832 0.94 KMT2A (0.41) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL10912083 0.87 ADRB2 (0.45) ALDH1A1LMNAAGTR1MAPK1ADRB2
SCHEMBL10912707 0.86 ADRB2 (0.48) KMT2AMEN1LMNAMAPTADRB2
SCHEMBL10912894 0.86 RAB9A (0.41) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL10716763 0.85 ABCB1 (0.41) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL10912183 0.81 ADRB2 (0.47) KMT2AMEN1LMNAMAPTADRB2
SCHEMBL10911853 0.80 RAB9A (0.38) KMT2ARAB9ANPC1MEN1ALDH1A1
Dimethylamine SCHEMBL10914075 0.80 RAB9A (0.43) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL10914068 0.79 PABPC1 (0.45) KMT2ARAB9ANPC1MEN1ALDH1A1
Dimethylamine SCHEMBL10912082 0.79 RAB9A (0.45) KMT2ARAB9ANPC1MEN1ALDH1A1

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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