SCHEMBL4054446

SCHEMBL4054446

Cc1cccc(OP(=O)(O)O)c1-c1ccnnn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 6/20 0.45
▸ INPP5A Q14642 5/20 0.45
▸ INPP5B P32019 2/20 0.45
▸ MAPT P10636 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ SRC P12931 6/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL4054451 0.81 INPPL1 (0.45) INPPL1INPP5AINPP5BMAPTFBP1
SCHEMBL12483485 0.80 PTPN1 (0.42) MAPTKDM4EUSP2ALDH1A1HPGD
SCHEMBL31555373 0.77 INPPL1 (0.57) INPPL1INPP5AINPP5BMAPTFBP1
SCHEMBL12484081 0.76 MEN1 (0.36) MAPTKDM4EALDH1A1POLB
SCHEMBL6736138 0.72 INPPL1 (0.50) INPPL1INPP5AINPP5BMAPTFBP1
SCHEMBL8146020 0.71 INPPL1 (0.48) INPPL1INPP5AINPP5BMAPTFBP1
SCHEMBL31389012 0.70 INPPL1 (0.52) INPPL1INPP5AINPP5BMAPTFBP1
SCHEMBL759513 0.69 MAPT (0.67) INPPL1INPP5AINPP5BMAPTAKT1
SCHEMBL1899313 0.69 INPPL1 (0.53) INPPL1INPP5AINPP5BMAPTAKT1
SCHEMBL29429257 0.69 MAPT (0.67) INPPL1INPP5AINPP5BMAPTAKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009148192-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2009-12-10 — — WO claimed
WO-2009148192-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2009-12-10 — — WO disclosed
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