SCHEMBL11991098

SCHEMBL11991098

O=P(c1ccccc1)(c1ccccc1)c1cccc2c1Oc1c(cccc1P(=O)(c1ccccc1)c1ccccc1)N2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.32
APOBEC3A P31941 1/20 0.31
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9927289 0.73 GAA (0.35) NPSR1KMT2AMEN1ALDH1A1GAA
SCHEMBL18983297 0.72 NPSR1 (0.41) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL11991064 0.72 NPSR1 (0.41) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL24002958 0.71 P2RX4 (0.40) KMT2AMEN1MGLL
SCHEMBL30486830 0.71 P2RX4 (0.40) KMT2AMEN1MGLL
SCHEMBL19367158 0.71 P2RX4 (0.40) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL24002957 0.71 P2RX4 (0.40) KMT2AMEN1MGLL
SCHEMBL13832923 0.71 CDK8 (0.36) NPSR1ALDH1A1GAACES2BCHE
SCHEMBL30801349 0.71 ALDH1A1 (0.34) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL21867485 0.70 ALDH1A1 (0.33) NPSR1KMT2AMEN1ALDH1A1GAA

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