SCHEMBL16772015

SCHEMBL16772015

C=CCOc1nn(CC=C)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.42
▸ KAT2B Q92831 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PLK1 P53350 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PTPRC P08575 1/20 0.35

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
SCHEMBL11872234 0.76 KAT2B (0.37) CASP3KAT2BMAPTALDH1A1KDM4E
SCHEMBL12913013 0.70 CNR2 (0.45) MAPTATMKDM4E
SCHEMBL8957218 0.70 MAPT (0.68) MAPTKMT2A
SCHEMBL12913014 0.70 CNR2 (0.70) MAPTATMALDH1A1KDM4ENPC1
SCHEMBL3317990 0.70 RECQL (0.55) KAT2BMAPTGAANPC1MAPK1
SCHEMBL30512910 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7808408 0.68 CNR2 (0.45) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL12913017 0.68 CNR2 (0.42) MAPTATMALDH1A1KDM4ENPC1
SCHEMBL7818113 0.67 CNR1 (0.56) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8916923 0.67 NPC1 (0.54) CASP3CA12CA1CA9ALDH1A1

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-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
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