SCHEMBL11991117

SCHEMBL11991117

O=c1n(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CFTR P13569 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL23431347 0.78 NPSR1 (0.44) CA2CA4CA5ANPSR1CFTR
SCHEMBL9927204 0.72 GAA (0.38) CA2CA4CA5ANPSR1CFTR
SCHEMBL12792062 0.72 NPSR1 (0.40) CA2CA4CA5ANPSR1ALDH1A1
SCHEMBL12792049 0.72 NPSR1 (0.40) CA2CA4CA5ANPSR1ALDH1A1
SCHEMBL10309470 0.67 CA2 (0.58) CA2CA4CA5ANPSR1CFTR
SCHEMBL30037074 0.65 KMT2A (0.44) CA2CA4CA5AALDH1A1L3MBTL1
SCHEMBL23911727 0.65 KDM4E (0.46) NPSR1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL5543989 0.65 TSHR (0.45) CA2CA4CA5ANPSR1CFTR
SCHEMBL29136506 0.65 PARL (0.44) CA2CA4CA5ANPSR1CFTR
SCHEMBL30122564 0.65 NPSR1 (0.44) CA2CA4CA5ANPSR1CFTR

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
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
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