SCHEMBL11991055

SCHEMBL11991055

O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccc(P(=O)(c4ccccc4)c4ccccc4)nc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
NPSR1 Q6W5P4 6/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 3/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 1/20 0.34
ALOX12 P18054 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20108847 0.88 LMNA (0.52) NPSR1LMNAHTTMAPTALDH1A1
SCHEMBL20108851 0.88 PARP1 (0.44) NPSR1HTTMAPTALDH1A1KDM4E
SCHEMBL19009875 0.87 ALDH1A1 (0.37) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL11991106 0.86 NPSR1 (0.40) CA2CA4CA5ANPSR1LMNA
SCHEMBL11990948 0.84 LMNA (0.52) NPSR1LMNAHTTMAPTALDH1A1
SCHEMBL19444911 0.83 ALDH1A1 (0.37) NPSR1LMNAMAPTALDH1A1KDM4E
SCHEMBL11991110 0.83 NPSR1 (0.40) CA2CA4CA5ANPSR1LMNA
SCHEMBL14000340 0.80 HTT (0.43) CA2CA4CA5ANPSR1LMNA
SCHEMBL16401204 0.80 MGAM (0.48) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL30382206 0.80 MGAM (0.48) LMNAMAPTALDH1A1KDM4EGAA

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